lithium;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;tris(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[6-methyl-3-(2-oxoethyl)indol-1-yl]acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[3-(2-oxoethyl)indol-1-yl]acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(3-formyl-6-methylindol-1-yl)acetic acid;phenylmethanamine;hydroxide;hydrate

C116H116Cl4F4LiN13O22 — CID 160900503

IUPAClithium;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;tris(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[6-methyl-3-(2-oxoethyl)indol-1-yl]acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[3-(2-oxoethyl)indol-1-yl]acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(3-formyl-6-methylindol-1-yl)acetic acid;phenylmethanamine;hydroxide;hydrate
SMILESCc1ccc2c(C=O)cn(CC(=O)O)c2c1.Cc1ccc2c(CC=O)cn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.NCc1ccccc1.O.O=C(CCC1CC1)NCc1cccc(Cl)c1F.O=C=O.O=C=O.O=C=O.O=CCc1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(C(=O)NCc3ccccc3)ccc12.O=CCc1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12.[Li+].[OH-]
InChIInChI=1S/C32H30ClFN4O4.C25H25ClFN3O3.C24H23ClFN3O3.C13H15ClFNO.C12H11NO3.C7H9N.3CO2.Li.2H2O/c33-27-8-4-7-23(31(27)34)17-35-29(40)19-38(25-10-11-25)30(41)20-37-18-24(13-14-39)26-12-9-22(15-28(26)37)32(42)36-16-21-5-2-1-3-6-21;1-16-5-8-20-18(9-10-31)13-29(22(20)11-16)15-24(33)30(19-6-7-19)14-23(32)28-12-17-3-2-4-21(26)25(17)27;25-20-6-3-4-16(24(20)26)12-27-22(31)14-29(18-8-9-18)23(32)15-28-13-17(10-11-30)19-5-1-2-7-21(19)28;14-11-3-1-2-10(13(11)15)8-16-12(17)7-6-9-4-5-9;1-8-2-3-10-9(7-14)5-13(6-12(15)16)11(10)4-8;8-6-7-4-2-1-3-5-7;3*2-1-3;;;/h1-9,12,14-15,18,25H,10-11,13,16-17,19-20H2,(H,35,40)(H,36,42);2-5,8,10-11,13,19H,6-7,9,12,14-15H2,1H3,(H,28,32);1-7,11,13,18H,8-10,12,14-15H2,(H,27,31);1-3,9H,4-8H2,(H,16,17);2-5,7H,6H2,1H3,(H,15,16);1-5H,6,8H2;;;;;2*1H2/q;;;;;;;;;+1;;/p-1
InChIKeyCLABJLKKCXUQAB-UHFFFAOYSA-M
MW2269.02 g/mol
LogP12.22
Rot. Bonds39

About lithium;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;tris(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[6-methyl-3-(2-oxoethyl)indol-1-yl]acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[3-(2-oxoethyl)indol-1-yl]acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(3-formyl-6-methylindol-1-yl)acetic acid;phenylmethanamine;hydroxide;hydrate

lithium;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;tris(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[6-methyl-3-(2-oxoethyl)indol-1-yl]acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[3-(2-oxoethyl)indol-1-yl]acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(3-formyl-6-methylindol-1-yl)acetic acid;phenylmethanamine;hydroxide;hydrate (PubChem CID 160900503) has the molecular formula C116H116Cl4F4LiN13O22 and a molecular weight of 2269.02 g/mol. Its IUPAC name is lithium;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;tris(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[6-methyl-3-(2-oxoethyl)indol-1-yl]acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[3-(2-oxoethyl)indol-1-yl]acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(3-formyl-6-methylindol-1-yl)acetic acid;phenylmethanamine;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;tris(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[6-methyl-3-(2-oxoethyl)indol-1-yl]acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[3-(2-oxoethyl)indol-1-yl]acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(3-formyl-6-methylindol-1-yl)acetic acid;phenylmethanamine;hydroxide;hydrate
PubChem CID160900503
Molecular FormulaC116H116Cl4F4LiN13O22
Molecular Weight2269.02 g/mol
Exact Mass2265.72
IUPAC Namelithium;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;tris(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[6-methyl-3-(2-oxoethyl)indol-1-yl]acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[3-(2-oxoethyl)indol-1-yl]acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(3-formyl-6-methylindol-1-yl)acetic acid;phenylmethanamine;hydroxide;hydrate
SMILESCc1ccc2c(C=O)cn(CC(=O)O)c2c1.Cc1ccc2c(CC=O)cn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.NCc1ccccc1.O.O=C(CCC1CC1)NCc1cccc(Cl)c1F.O=C=O.O=C=O.O=C=O.O=CCc1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(C(=O)NCc3ccccc3)ccc12.O=CCc1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12.[Li+].[OH-]
InChIInChI=1S/C32H30ClFN4O4.C25H25ClFN3O3.C24H23ClFN3O3.C13H15ClFNO.C12H11NO3.C7H9N.3CO2.Li.2H2O/c33-27-8-4-7-23(31(27)34)17-35-29(40)19-38(25-10-11-25)30(41)20-37-18-24(13-14-39)26-12-9-22(15-28(26)37)32(42)36-16-21-5-2-1-3-6-21;1-16-5-8-20-18(9-10-31)13-29(22(20)11-16)15-24(33)30(19-6-7-19)14-23(32)28-12-17-3-2-4-21(26)25(17)27;25-20-6-3-4-16(24(20)26)12-27-22(31)14-29(18-8-9-18)23(32)15-28-13-17(10-11-30)19-5-1-2-7-21(19)28;14-11-3-1-2-10(13(11)15)8-16-12(17)7-6-9-4-5-9;1-8-2-3-10-9(7-14)5-13(6-12(15)16)11(10)4-8;8-6-7-4-2-1-3-5-7;3*2-1-3;;;/h1-9,12,14-15,18,25H,10-11,13,16-17,19-20H2,(H,35,40)(H,36,42);2-5,8,10-11,13,19H,6-7,9,12,14-15H2,1H3,(H,28,32);1-7,11,13,18H,8-10,12,14-15H2,(H,27,31);1-3,9H,4-8H2,(H,16,17);2-5,7H,6H2,1H3,(H,15,16);1-5H,6,8H2;;;;;2*1H2/q;;;;;;;;;+1;;/p-1
InChIKeyCLABJLKKCXUQAB-UHFFFAOYSA-M
XLogP12.22
TPSA521.67 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds39
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002269.02
LogP ≤ 512.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze lithium;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;tris(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[6-methyl-3-(2-oxoethyl)indol-1-yl]acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[3-(2-oxoethyl)indol-1-yl]acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(3-formyl-6-methylindol-1-yl)acetic acid;phenylmethanamine;hydroxide;hydrate with MolForge

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Related Compounds

2-[[1-[3-Acetyl-1-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indole-6-carbonyl]pyrrolidin-3-yl]amino]acetic acid
CID 123381728
[(3R)-3-[[(1R,3S,5R)-2-[2-(3-acetylindol-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]-3-(3-chloro-2-fluorophenyl)propyl] (2S,3S,4S)-1-[2-(3-acetylindol-1-yl)acetyl]-4-fluoro-3-methoxypyrrolidine-2-carboxylate
CID 123950676
[3-Acetyl-1-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-3-[2-[1-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-3-[2-[1-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-diethoxyphosphorylindol-3-yl]-2-oxoethyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-[ethoxy(hydroxy)phosphoryl]indol-3-yl]-2-oxoethyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl]phosphonic acid
CID 123957103
N-[3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide;(2S,4R)-1-[2-(3-acetyl-5-isocyanatoindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;3,3-difluoropiperidine;hydrochloride
CID 157394500
2-[3-acetyl-5-(3,3,3-trifluoropropanoylamino)indol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(3,3,3-trifluoropropanoylamino)indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 157726565
3-[[4-[2-[(4-tert-butylphenyl)methyl]-3-(5-chloro-1H-indol-2-yl)-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[3-(5-chloro-1-methylindol-2-yl)-2-(cyclopropylmethyl)-3-oxopropyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-chloro-1-[3-(trifluoromethyl)phenyl]indole-2-carbonyl]-5-methylhexyl]benzoyl]amino]propanoic acid;3-[[4-[3-[5-chloro-1-[3-(trifluoromethyl)phenyl]indol-2-yl]-2-(cyclopropylmethyl)-3-oxopropyl]benzoyl]amino]propanoic acid
CID 158109207
dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
CID 158313578
CID 158948270
CID 158948270
N-[3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide;(2S,4R)-1-[2-(3-acetyl-5-isocyanatoindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;3,3-difluoropiperidine;methane;hydrochloride
CID 158970348
4-chloro-1-[(1-cyclopropylpyrrolidin-2-yl)methyl]-N-[(4-fluoro-4-methylcyclohexyl)methyl]indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-(2-oxo-2-piperidin-1-ylethyl)indole-3-carboxamide;4-chloro-N-[(4-fluoro-4-methylcyclohexyl)methyl]-1-[(1-propan-2-ylpyrrolidin-2-yl)methyl]indole-3-carboxamide;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-hydroxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one;3-(4-fluoro-4-methylcyclohexyl)-1-[1-(2-methoxyethyl)-4-(trifluoromethyl)indol-3-yl]propan-1-one
CID 159133304
[1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indol-6-yl]phosphonic acid;(2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-[2-[6-diethoxyphosphoryl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 159192328
3-Carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-5-carbonyl azide;carbon dioxide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indole-3-carboxamide;3,3-difluoropiperidine;hydrochloride
CID 159650877

Frequently Asked Questions

What is the IUPAC name of lithium;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;tris(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[6-methyl-3-(2-oxoethyl)indol-1-yl]acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[3-(2-oxoethyl)indol-1-yl]acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(3-formyl-6-methylindol-1-yl)acetic acid;phenylmethanamine;hydroxide;hydrate?
The IUPAC name of lithium;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;tris(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[6-methyl-3-(2-oxoethyl)indol-1-yl]acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[3-(2-oxoethyl)indol-1-yl]acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(3-formyl-6-methylindol-1-yl)acetic acid;phenylmethanamine;hydroxide;hydrate (CID 160900503) is lithium;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;tris(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[6-methyl-3-(2-oxoethyl)indol-1-yl]acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[3-(2-oxoethyl)indol-1-yl]acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(3-formyl-6-methylindol-1-yl)acetic acid;phenylmethanamine;hydroxide;hydrate.
What is the SMILES notation for lithium;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;tris(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[6-methyl-3-(2-oxoethyl)indol-1-yl]acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[3-(2-oxoethyl)indol-1-yl]acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(3-formyl-6-methylindol-1-yl)acetic acid;phenylmethanamine;hydroxide;hydrate?
The canonical SMILES for lithium;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;tris(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[6-methyl-3-(2-oxoethyl)indol-1-yl]acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[3-(2-oxoethyl)indol-1-yl]acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(3-formyl-6-methylindol-1-yl)acetic acid;phenylmethanamine;hydroxide;hydrate is Cc1ccc2c(C=O)cn(CC(=O)O)c2c1.Cc1ccc2c(CC=O)cn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.NCc1ccccc1.O.O=C(CCC1CC1)NCc1cccc(Cl)c1F.O=C=O.O=C=O.O=C=O.O=CCc1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(C(=O)NCc3ccccc3)ccc12.O=CCc1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccccc12.[Li+].[OH-].
What is the InChIKey of lithium;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;tris(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[6-methyl-3-(2-oxoethyl)indol-1-yl]acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[3-(2-oxoethyl)indol-1-yl]acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(3-formyl-6-methylindol-1-yl)acetic acid;phenylmethanamine;hydroxide;hydrate?
The InChIKey is CLABJLKKCXUQAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H30ClFN4O4.C25H25ClFN3O3.C24H23ClFN3O3.C13H15ClFNO.C12H11NO3.C7H9N.3CO2.Li.2H2O/c33-27-8-4-7-23(31(27)34)17-35-29(40)19-38(25-10-11-25)30(41)20-37-18-24(13-14-39)26-12-9-22(15-28(26)37)32(42)36-16-21-5-2-1-3-6-21;1-16-5-8-20-18(9-10-31)13-29(22(20)11-16)15-24(33)30(19-6-7-19)14-23(32)28-12-17-3-2-4-21(26)25(17)27;25-20-6-3-4-16(24(20)26)12-27-22(31)14-29(18-8-9-18)23(32)15-28-13-17(10-11-30)19-5-1-2-7-21(19)28;14-11-3-1-2-10(13(11)15)8-16-12(17)7-6-9-4-5-9;1-8-2-3-10-9(7-14)5-13(6-12(15)16)11(10)4-8;8-6-7-4-2-1-3-5-7;3*2-1-3;;;/h1-9,12,14-15,18,25H,10-11,13,16-17,19-20H2,(H,35,40)(H,36,42);2-5,8,10-11,13,19H,6-7,9,12,14-15H2,1H3,(H,28,32);1-7,11,13,18H,8-10,12,14-15H2,(H,27,31);1-3,9H,4-8H2,(H,16,17);2-5,7H,6H2,1H3,(H,15,16);1-5H,6,8H2;;;;;2*1H2/q;;;;;;;;;+1;;/p-1.
What are the key properties of lithium;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;tris(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[6-methyl-3-(2-oxoethyl)indol-1-yl]acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[3-(2-oxoethyl)indol-1-yl]acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(3-formyl-6-methylindol-1-yl)acetic acid;phenylmethanamine;hydroxide;hydrate?
lithium;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;tris(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[6-methyl-3-(2-oxoethyl)indol-1-yl]acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[3-(2-oxoethyl)indol-1-yl]acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(3-formyl-6-methylindol-1-yl)acetic acid;phenylmethanamine;hydroxide;hydrate has a molecular weight of 2269.02 g/mol, XLogP of 12.22, 39 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N-benzyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-3-(2-oxoethyl)indole-6-carboxamide;tris(carbon dioxide);N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[6-methyl-3-(2-oxoethyl)indol-1-yl]acetamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropyl-2-[3-(2-oxoethyl)indol-1-yl]acetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(3-formyl-6-methylindol-1-yl)acetic acid;phenylmethanamine;hydroxide;hydrate is sourced from PubChem (CID 160900503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).