58930728 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 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 78 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 3 3 4 5 6 6 6 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 12 13 13 14 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 36 36 36 37 37 37 38 38 38 39 39 39 40 40 40 41 41 41 2 3 6 7 14 56 15 57 14 15 8 44 45 9 46 47 9 10 42 11 43 12 48 49 13 50 51 13 52 53 54 55 16 17 18 58 59 19 60 61 20 62 63 21 64 65 22 66 67 23 68 69 24 70 71 25 72 73 26 74 75 27 76 77 28 78 79 29 80 81 30 82 83 31 84 85 32 86 87 33 88 89 34 90 91 35 92 93 36 94 95 37 96 97 38 98 99 39 100 101 40 102 103 41 104 105 106 107 108 109 110 111 6 6 6 6 1 1 1 1 2 2 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 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 6 9 10 42 1 1 9 7 8 11 43 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 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 5.2619 6.0709 6.0709 5.0528 7.089 4.6783 4.6783 3.732 3.732 2.866 2.866 2 2 5.9664 6.9844 6.7754 7.7935 6.6709 8.707 7.4799 9.516 7.3754 10.4296 8.1844 11.2386 8.0798 12.1521 8.8888 12.9611 8.7843 13.8747 9.5933 14.6837 9.4888 15.5973 10.2978 16.4063 10.1933 17.3198 11.0023 18.1288 3.822 3.822 4.4877 5.1805 4.4877 5.1805 2.4675 3.2646 3.2646 2.4675 1.3894 1.788 1.788 1.3894 6.6373 6.0061 7.3714 7.0472 8.1402 7.3475 6.0749 6.3991 8.3603 9.153 8.0759 7.7517 9.8627 9.07 6.7794 7.1036 10.0829 10.8756 8.7803 8.4561 11.5853 10.7926 7.4838 7.808 11.8054 12.5981 9.4848 9.1606 13.3078 12.5152 8.1883 8.5125 13.528 14.3207 10.1893 9.8651 15.0304 14.2377 8.8928 9.217 15.2506 16.0432 10.8938 10.5696 16.753 15.9603 9.5973 9.9215 16.9731 17.7658 10.6379 11.5039 11.3667 18.4933 18.6304 17.7644 4.9044 4.3166 5.4922 2.9154 4.0909 4.0997 5.7091 4.4044 5.4044 3.9044 5.9044 4.4044 5.4044 3.3221 5.0854 2.7343 5.6732 1.7398 5.2665 1.152 5.8543 0.1575 5.4476 -0.4303 6.0353 -1.4248 5.6286 -2.0126 6.2164 -3.0071 5.8097 -3.5949 6.3974 -4.5894 5.9907 -5.1772 6.5785 -6.1718 6.1718 -6.7595 6.7595 3.5592 6.2496 3.5097 3.7361 6.2991 6.0727 3.4295 3.4295 6.3793 6.3793 4.5121 3.8218 5.987 5.2967 4.5688 6.1088 2.5634 3.2916 6.1872 6.1039 1.9107 1.1825 4.7525 4.8358 0.9811 1.7093 6.3683 6.285 0.3284 -0.3998 4.9336 5.0169 -0.6012 0.127 6.5493 6.466 -1.2539 -1.9821 5.1146 5.1979 -2.1835 -1.4554 6.7304 6.6471 -2.8362 -3.5644 5.2956 5.379 -3.7658 -3.0377 6.9114 6.8281 -4.4185 -5.1467 5.4767 5.56 -5.3481 -4.62 7.0925 7.0092 -6.0008 -6.729 5.6577 5.7411 -7.2611 -7.124 -6.2579 6.2579 7.124 7.2611 5 6 8 9 42 43 2 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 491 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 24 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371F07F3800000000000000000400000000000160000000300000000000000058000000001E00100800000828C1800402080040020008000090080000000000000000008100000000401200800000400004100000000198C8A08000000000000000000000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1R,2R)-cyclohexane-1,2-diamine;platinum(2+);tetradecanoic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1R,2R)-cyclohexane-1,2-diamine;platinum(2+);tetradecanoic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1<I>R</I>,2<I>R</I>)-cyclohexane-1,2-diamine;platinum(2+);tetradecanoic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1R,2R)-cyclohexane-1,2-diamine;platinum(2+);tetradecanoic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1R,2R)-cyclohexane-1,2-diamine;platinum(2+);tetradecanoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(1R,2R)-2-aminocyclohexyl]amine;myristic acid;platinum(2+) InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/2C14H28O2.C6H14N2.Pt/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;7-5-3-1-2-4-6(5)8;/h2*2-13H2,1H3,(H,15,16);5-6H,1-4,7-8H2;/q;;;+2/t;;5-,6-;/m..1./s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BGIHRZPJIYJKAZ-BLUNCNMSSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 765.498353 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C34H70N2O4Pt+2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 766.0 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O.C1CCC(C(C1)N)N.[Pt+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O.C1CC[C@H]([C@@H](C1)N)N.[Pt+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 127 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 765.498353 41 2 2 0 0 0 0 0 4 -1