lithium;alumane;(4S)-4-aminopentanoic acid;(4S)-4-aminopentan-1-ol;2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;hydride;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methyl 2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;(7S)-7-methyl-15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(6-methyl-3-pyridinyl)boronic acid;(5S)-5-methylpyrrolidin-2-one;sulfane;dihydrochloride

C138H189AlBCl2I4LiN34O21S7 — CID 172974673

About lithium;alumane;(4S)-4-aminopentanoic acid;(4S)-4-aminopentan-1-ol;2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;hydride;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methyl 2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;(7S)-7-methyl-15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(6-methyl-3-pyridinyl)boronic acid;(5S)-5-methylpyrrolidin-2-one;sulfane;dihydrochloride

lithium;alumane;(4S)-4-aminopentanoic acid;(4S)-4-aminopentan-1-ol;2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;hydride;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methyl 2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;(7S)-7-methyl-15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(6-methyl-3-pyridinyl)boronic acid;(5S)-5-methylpyrrolidin-2-one;sulfane;dihydrochloride (PubChem CID 172974673) has the molecular formula C138H189AlBCl2I4LiN34O21S7 and a molecular weight of 3507.97 g/mol. Its IUPAC name is lithium;alumane;(4S)-4-aminopentanoic acid;(4S)-4-aminopentan-1-ol;2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;hydride;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methyl 2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;(7S)-7-methyl-15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(6-methyl-3-pyridinyl)boronic acid;(5S)-5-methylpyrrolidin-2-one;sulfane;dihydrochloride.

Molecular Properties

• Compound Name: lithium;alumane;(4S)-4-aminopentanoic acid;(4S)-4-aminopentan-1-ol;2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;hydride;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methyl 2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;(7S)-7-methyl-15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(6-methyl-3-pyridinyl)boronic acid;(5S)-5-methylpyrrolidin-2-one;sulfane;dihydrochloride
• PubChem CID: 172974673
• Molecular Formula: C138H189AlBCl2I4LiN34O21S7
• Molecular Weight: 3507.97 g/mol
• Exact Mass: 3504.84
• IUPAC Name: lithium;alumane;(4S)-4-aminopentanoic acid;(4S)-4-aminopentan-1-ol;2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;hydride;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methyl 2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;(7S)-7-methyl-15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(6-methyl-3-pyridinyl)boronic acid;(5S)-5-methylpyrrolidin-2-one;sulfane;dihydrochloride
• SMILES: CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.COC(=O)c1cc(I)ccc1O.COC(=O)c1cc(I)ccc1OCCC[C@H](C)n1cnnc1-c1cccc(N)c1.C[C@@H](CCCO)n1cnnc1-c1cccc(N)n1.C[C@@H](CCCOc1ccc(I)cc1C(=O)O)n1cnnc1-c1cccc(N)c1.C[C@H](N)CCC(=O)O.C[C@H](N)CCCO.C[C@H]1CCC(=O)N1.C[C@H]1CCCOc2ccc(I)cc2C(=O)Nc2cccc(n2)-c2nncn21.Cc1ccc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2[C@@H](C)CCCO3)cn1.Cc1ccc(B(O)O)cn1.Cl.Cl.S.S.S.S.S.S.S.[AlH3].[H-].[Li+]
• InChI: InChI=1S/C25H24N6O2.C21H23IN4O3.C20H21IN4O3.C19H18IN5O2.C12H18N6O.C12H17N5O.C8H7IO3.C6H8BNO2.C5H11NO2.C5H9NO.C5H13NO.Al.2ClH.Li.7H2S.4H/c1-16-8-9-19(14-26-16)18-10-11-22-20(13-18)25(32)29-23-7-3-6-21(28-23)24-30-27-15-31(24)17(2)5-4-12-33-22;1-14(26-13-24-25-20(26)15-6-3-7-17(23)11-15)5-4-10-29-19-9-8-16(22)12-18(19)21(27)28-2;1-13(25-12-23-24-19(25)14-5-2-6-16(22)10-14)4-3-9-28-18-8-7-15(21)11-17(18)20(26)27;1-12-4-3-9-27-16-8-7-13(20)10-14(16)19(26)23-17-6-2-5-15(22-17)18-24-21-11-25(12)18;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;1-9(4-3-7-18)17-8-14-16-12(17)10-5-2-6-11(13)15-10;1-12-8(11)6-4-5(9)2-3-7(6)10;1-5-2-3-6(4-8-5)7(9)10;1-4(6)2-3-5(7)8;1-4-2-3-5(7)6-4;1-5(6)3-2-4-7;;;;;;;;;;;;;;;/h3,6-11,13-15,17H,4-5,12H2,1-2H3,(H,28,29,32);3,6-9,11-14H,4-5,10,23H2,1-2H3;2,5-8,10-13H,3-4,9,22H2,1H3,(H,26,27);2,5-8,10-12H,3-4,9H2,1H3,(H,22,23,26);5-9H,1-4H3,(H,16,19);2,5-6,8-9,18H,3-4,7H2,1H3,(H2,13,15);2-4,10H,1H3;2-4,9-10H,1H3;4H,2-3,6H2,1H3,(H,7,8);4H,2-3H2,1H3,(H,6,7);5,7H,2-4,6H2,1H3;;2*1H;;7*1H2;;;;/q;;;;;;;;;;;;;;+1;;;;;;;;;;;-1/b;;;;13-8?,14-9+;;;;;;;;;;;;;;;;;;;;;/t17-;14-;13-;12-;;9-;;;2*4-;5-;;;;;;;;;;;;;;;/m0000.0..000.............../s1
• InChIKey: JBZMEXIEXBOGGA-BGSFXDBTSA-N
• XLogP: 18.02
• TPSA: 773.86 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 47
• Rotatable Bonds: 35
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3507.97
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;(4S)-4-aminopentanoic acid;(4S)-4-aminopentan-1-ol;2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;hydride;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methyl 2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;(7S)-7-methyl-15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(6-methyl-3-pyridinyl)boronic acid;(5S)-5-methylpyrrolidin-2-one;sulfane;dihydrochloride?

The IUPAC name of lithium;alumane;(4S)-4-aminopentanoic acid;(4S)-4-aminopentan-1-ol;2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;hydride;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methyl 2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;(7S)-7-methyl-15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(6-methyl-3-pyridinyl)boronic acid;(5S)-5-methylpyrrolidin-2-one;sulfane;dihydrochloride (CID 172974673) is lithium;alumane;(4S)-4-aminopentanoic acid;(4S)-4-aminopentan-1-ol;2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;hydride;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methyl 2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;(7S)-7-methyl-15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(6-methyl-3-pyridinyl)boronic acid;(5S)-5-methylpyrrolidin-2-one;sulfane;dihydrochloride.

What is the SMILES notation for lithium;alumane;(4S)-4-aminopentanoic acid;(4S)-4-aminopentan-1-ol;2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;hydride;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methyl 2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;(7S)-7-methyl-15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(6-methyl-3-pyridinyl)boronic acid;(5S)-5-methylpyrrolidin-2-one;sulfane;dihydrochloride?

The canonical SMILES for lithium;alumane;(4S)-4-aminopentanoic acid;(4S)-4-aminopentan-1-ol;2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;hydride;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methyl 2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;(7S)-7-methyl-15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(6-methyl-3-pyridinyl)boronic acid;(5S)-5-methylpyrrolidin-2-one;sulfane;dihydrochloride is CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.COC(=O)c1cc(I)ccc1O.COC(=O)c1cc(I)ccc1OCCC[C@H](C)n1cnnc1-c1cccc(N)c1.C[C@@H](CCCO)n1cnnc1-c1cccc(N)n1.C[C@@H](CCCOc1ccc(I)cc1C(=O)O)n1cnnc1-c1cccc(N)c1.C[C@H](N)CCC(=O)O.C[C@H](N)CCCO.C[C@H]1CCC(=O)N1.C[C@H]1CCCOc2ccc(I)cc2C(=O)Nc2cccc(n2)-c2nncn21.Cc1ccc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2[C@@H](C)CCCO3)cn1.Cc1ccc(B(O)O)cn1.Cl.Cl.S.S.S.S.S.S.S.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;(4S)-4-aminopentanoic acid;(4S)-4-aminopentan-1-ol;2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;hydride;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methyl 2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;(7S)-7-methyl-15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(6-methyl-3-pyridinyl)boronic acid;(5S)-5-methylpyrrolidin-2-one;sulfane;dihydrochloride?

The InChIKey is JBZMEXIEXBOGGA-BGSFXDBTSA-N. The full InChI is InChI=1S/C25H24N6O2.C21H23IN4O3.C20H21IN4O3.C19H18IN5O2.C12H18N6O.C12H17N5O.C8H7IO3.C6H8BNO2.C5H11NO2.C5H9NO.C5H13NO.Al.2ClH.Li.7H2S.4H/c1-16-8-9-19(14-26-16)18-10-11-22-20(13-18)25(32)29-23-7-3-6-21(28-23)24-30-27-15-31(24)17(2)5-4-12-33-22;1-14(26-13-24-25-20(26)15-6-3-7-17(23)11-15)5-4-10-29-19-9-8-16(22)12-18(19)21(27)28-2;1-13(25-12-23-24-19(25)14-5-2-6-16(22)10-14)4-3-9-28-18-8-7-15(21)11-17(18)20(26)27;1-12-4-3-9-27-16-8-7-13(20)10-14(16)19(26)23-17-6-2-5-15(22-17)18-24-21-11-25(12)18;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;1-9(4-3-7-18)17-8-14-16-12(17)10-5-2-6-11(13)15-10;1-12-8(11)6-4-5(9)2-3-7(6)10;1-5-2-3-6(4-8-5)7(9)10;1-4(6)2-3-5(7)8;1-4-2-3-5(7)6-4;1-5(6)3-2-4-7;;;;;;;;;;;;;;;/h3,6-11,13-15,17H,4-5,12H2,1-2H3,(H,28,29,32);3,6-9,11-14H,4-5,10,23H2,1-2H3;2,5-8,10-13H,3-4,9,22H2,1H3,(H,26,27);2,5-8,10-12H,3-4,9H2,1H3,(H,22,23,26);5-9H,1-4H3,(H,16,19);2,5-6,8-9,18H,3-4,7H2,1H3,(H2,13,15);2-4,10H,1H3;2-4,9-10H,1H3;4H,2-3,6H2,1H3,(H,7,8);4H,2-3H2,1H3,(H,6,7);5,7H,2-4,6H2,1H3;;2*1H;;7*1H2;;;;/q;;;;;;;;;;;;;;+1;;;;;;;;;;;-1/b;;;;13-8?,14-9+;;;;;;;;;;;;;;;;;;;;;/t17-;14-;13-;12-;;9-;;;2*4-;5-;;;;;;;;;;;;;;;/m0000.0..000.............../s1.

What are the key properties of lithium;alumane;(4S)-4-aminopentanoic acid;(4S)-4-aminopentan-1-ol;2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;hydride;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methyl 2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;(7S)-7-methyl-15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(6-methyl-3-pyridinyl)boronic acid;(5S)-5-methylpyrrolidin-2-one;sulfane;dihydrochloride?

lithium;alumane;(4S)-4-aminopentanoic acid;(4S)-4-aminopentan-1-ol;2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;hydride;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methyl 2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;(7S)-7-methyl-15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(6-methyl-3-pyridinyl)boronic acid;(5S)-5-methylpyrrolidin-2-one;sulfane;dihydrochloride has a molecular weight of 3507.97 g/mol, XLogP of 18.02, 35 rotatable bonds, 16 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;(4S)-4-aminopentanoic acid;(4S)-4-aminopentan-1-ol;2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoic acid;(4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]pentan-1-ol;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;hydride;(7S)-15-iodo-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methyl 2-[(4S)-4-[3-(3-aminophenyl)-1,2,4-triazol-4-yl]pentoxy]-5-iodobenzoate;methyl 2-hydroxy-5-iodobenzoate;(7S)-7-methyl-15-(6-methyl-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(6-methyl-3-pyridinyl)boronic acid;(5S)-5-methylpyrrolidin-2-one;sulfane;dihydrochloride is sourced from PubChem (CID 172974673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).