67474888 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 9 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 12 12 13 13 14 14 15 16 17 17 18 18 18 19 19 20 20 21 21 22 24 24 25 25 26 27 27 27 22 23 27 6 7 8 9 10 13 15 16 40 9 28 29 10 30 31 11 32 33 34 35 36 37 12 38 39 14 15 19 20 16 17 18 21 22 41 42 43 44 24 45 25 46 23 47 23 26 48 26 49 50 51 52 53 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 2 2 7.1441 7.7654 5.5443 6.4763 8.1226 6.8335 6.787 8.4333 5.855 5.5443 8.0761 4.5981 6.1279 4.5981 3.732 7.1279 7.4083 9.0546 3.732 2.866 2.866 7.7189 9.3653 8.6974 2 5.9294 6.0937 8.1432 8.7364 6.854 7.4473 6.7664 6.1731 8.9802 8.8158 5.8344 5.2411 5.7369 3.732 7.1279 7.7479 7.1279 6.8016 9.4687 3.732 7.3049 9.972 8.89 1.38 2 2.62 -1.8323 -3.8323 0.0797 1.9807 -3.637 0.824 0.2859 -0.8708 1.7745 1.2364 -1.077 -2.0276 2.9313 -2.3323 -2.8323 -3.3323 -1.8323 -2.8323 3.6756 3.1375 -3.8323 -2.3323 -3.3323 4.6261 4.088 4.8323 -4.8323 1.116 0.3361 -0.3337 0.1986 -1.4905 -0.9582 2.3942 1.8619 0.9444 1.7243 -0.4574 -0.9897 -4.2264 -1.2123 -3.4523 -2.8323 -2.2123 3.5477 2.676 -4.4523 5.0875 4.2158 5.4216 -4.8323 -5.4523 -4.8323 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 12 12 13 13 14 14 16 17 19 20 21 22 24 25 15 16 14 15 19 20 16 17 21 22 24 25 23 23 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 465 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B21000000000000000000000000000001600000003C608000000000005801F400001F00100000000C0CC19E0E32C6F3C99400A003246244008288202122200899203E6C980C66E2C4B19B94302866D019C8E80790D0F30EA0000002000200004000000400040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-fluoro-6-methoxy-2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-fluoro-6-methoxy-2-methyl-3-[2-(4-phenyl-1-piperazinyl)ethyl]-1H-indole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-fluoro-6-methoxy-2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1<I>H</I>-indole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-fluoro-6-methoxy-2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-fluoranyl-6-methoxy-2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-fluoro-6-methoxy-2-methyl-3-[2-(4-phenylpiperazino)ethyl]-1H-indole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H26FN3O/c1-16-18(19-14-20(23)22(27-2)15-21(19)24-16)8-9-25-10-12-26(13-11-25)17-6-4-3-5-7-17/h3-7,14-15,24H,8-13H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PXPIMHPXXGMJGD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 367.20599062 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H26FN3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 367.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C2=CC(=C(C=C2N1)OC)F)CCN3CCN(CC3)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(C2=CC(=C(C=C2N1)OC)F)CCN3CCN(CC3)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 31.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 367.20599062 27 0 0 0 0 0 0 0 1 -1