71571535 -OEChem-05112405052D 70 74 0 1 0 0 0 0 0999 V2000 6.9473 -3.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1684 2.1219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.6911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5256 0.4271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1039 2.7406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -1.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -1.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 -2.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 -0.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 -2.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2364 -0.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5901 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5471 0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9007 0.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 0.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -1.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -3.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8148 1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1254 2.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8363 1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -1.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -3.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -2.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4146 3.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7718 1.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.3811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6505 -1.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9834 -0.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4867 1.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0718 1.5545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 -1.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 -4.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9397 -0.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8353 0.9642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4286 1.4965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1049 3.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5116 2.6217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.6189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3409 -1.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3409 -4.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1509 -2.6911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0039 3.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6072 4.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8253 3.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3103 1.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1858 1.5348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2332 2.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 2 63 1 0 0 0 0 3 31 2 0 0 0 0 11 4 1 6 0 0 0 4 12 1 0 0 0 0 4 41 1 0 0 0 0 5 12 1 0 0 0 0 5 26 2 0 0 0 0 6 15 2 0 0 0 0 6 26 1 0 0 0 0 7 21 1 0 0 0 0 7 31 1 0 0 0 0 7 53 1 0 0 0 0 8 30 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 40 1 0 0 0 0 13 18 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 27 2 0 0 0 0 18 28 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 20 24 2 0 0 0 0 20 45 1 0 0 0 0 21 25 2 0 0 0 0 22 32 1 0 0 0 0 22 46 1 0 0 0 0 23 33 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 34 1 0 0 0 0 27 51 1 0 0 0 0 28 35 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 32 36 2 0 0 0 0 32 58 1 0 0 0 0 33 36 1 0 0 0 0 33 59 1 0 0 0 0 34 37 2 0 0 0 0 34 60 1 0 0 0 0 35 37 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 39 68 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 M END > 71571535 > 1 > 757 > 7 > 3 > 10 > AAADceB7sAAAAAAAAAAAAAAAAAAAASAAAAA8YMEAAAAAAFgB/AAAHgAQCAAADCzhmgY39NfIFkCoAqdzdACCiCk9IqAJ2KEsbNiOPjrE/duOfaju1xvY6ee82fOegAAAQAAAAAAAAACAAAAAAAAAAAAAAA== > 3-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]propanamide > 3-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenyl-5-furo[2,3-d]pyrimidinyl]phenyl]propanamide > 3-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]propanamide > 3-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]propanamide > 3-(dimethylamino)-N-[3-[4-[[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]propanamide > 3-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]propionamide > InChI=1S/C31H31N5O3/c1-36(2)17-16-26(38)34-24-15-9-14-23(18-24)27-28-30(35-25(19-37)21-10-5-3-6-11-21)32-20-33-31(28)39-29(27)22-12-7-4-8-13-22/h3-15,18,20,25,37H,16-17,19H2,1-2H3,(H,34,38)(H,32,33,35)/t25-/m1/s1 > ASCVQXWPIHGQIB-RUZDIDTESA-N > 4.5 > 521.24268987 > C31H31N5O3 > 521.6 > CN(C)CCC(=O)NC1=CC=CC(=C1)C2=C(OC3=NC=NC(=C23)NC(CO)C4=CC=CC=C4)C5=CC=CC=C5 > CN(C)CCC(=O)NC1=CC=CC(=C1)C2=C(OC3=NC=NC(=C23)N[C@H](CO)C4=CC=CC=C4)C5=CC=CC=C5 > 104 > 521.24268987 > 0 > 39 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 13 8 1 15 8 10 12 8 10 15 8 14 19 8 14 20 8 16 22 8 16 23 8 18 27 8 18 28 8 19 21 8 20 24 8 21 25 8 22 32 8 23 33 8 24 25 8 27 34 8 28 35 8 32 36 8 33 36 8 34 37 8 35 37 8 11 4 6 5 12 8 5 26 8 6 15 8 6 26 8 9 10 8 9 13 8 $$$$