dilithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;aniline;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;dihydroxide

C171H199BrClF3Li2N22O26S3 — CID 158237652

IUPACdilithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;aniline;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;dihydroxide
SMILESCC(=O)Nc1ccc(N)cc1.CC(=O)Nc1ccc(NC(=O)c2cc3cc(NC(=O)CC(C)(C)C)ccc3n2Cc2ccccc2F)cc1.CC(C)(C)CC(=O)Cl.CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(C(=O)O)n2Cc1ccccc1F.CCOC(=O)c1cc2cc(NC(=O)CC(C)(C)C)ccc2[nH]1.CCOC(=O)c1cc2cc(NC(=O)CC(C)(C)C)ccc2n1Cc1ccccc1F.CCOC(=O)c1cc2cc(NC(=O)CC(C)(C)C)ccc2n1Cc1csc(C)n1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.Cc1nc(CBr)cs1.Cc1nc(Cn2c(C(=O)O)cc3cc(NC(=O)CC(C)(C)C)ccc32)cs1.Nc1ccccc1.[Li+].[Li+].[OH-].[OH-]
InChIInChI=1S/C30H31FN4O3.C24H27FN2O3.C22H23FN2O3.C22H27N3O3S.C20H23N3O3S.C17H22N2O3.C11H10N2O4.C8H10N2O.C6H11ClO.C6H7N.C5H6BrNS.2Li.2H2O/c1-19(36)32-22-9-11-23(12-10-22)34-29(38)27-16-21-15-24(33-28(37)17-30(2,3)4)13-14-26(21)35(27)18-20-7-5-6-8-25(20)31;1-5-30-23(29)21-13-17-12-18(26-22(28)14-24(2,3)4)10-11-20(17)27(21)15-16-8-6-7-9-19(16)25;1-22(2,3)12-20(26)24-16-8-9-18-15(10-16)11-19(21(27)28)25(18)13-14-6-4-5-7-17(14)23;1-6-28-21(27)19-10-15-9-16(24-20(26)11-22(3,4)5)7-8-18(15)25(19)12-17-13-29-14(2)23-17;1-12-21-15(11-27-12)10-23-16-6-5-14(22-18(24)9-20(2,3)4)7-13(16)8-17(23)19(25)26;1-5-22-16(21)14-9-11-8-12(6-7-13(11)19-14)18-15(20)10-17(2,3)4;1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;1-6(11)10-8-4-2-7(9)3-5-8;1-6(2,3)4-5(7)8;7-6-4-2-1-3-5-6;1-4-7-5(2-6)3-8-4;;;;/h5-16H,17-18H2,1-4H3,(H,32,36)(H,33,37)(H,34,38);6-13H,5,14-15H2,1-4H3,(H,26,28);4-11H,12-13H2,1-3H3,(H,24,26)(H,27,28);7-10,13H,6,11-12H2,1-5H3,(H,24,26);5-8,11H,9-10H2,1-4H3,(H,22,24)(H,25,26);6-9,19H,5,10H2,1-4H3,(H,18,20);3-6,12H,2H2,1H3;2-5H,9H2,1H3,(H,10,11);4H2,1-3H3;1-5H,7H2;3H,2H2,1H3;;;2*1H2/q;;;;;;;;;;;2*+1;;/p-2
InChIKeyGFDWIPXHAQBSSV-UHFFFAOYSA-L
MW3261.03 g/mol
LogP32.89
Rot. Bonds39

About dilithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;aniline;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;dihydroxide

dilithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;aniline;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;dihydroxide (PubChem CID 158237652) has the molecular formula C171H199BrClF3Li2N22O26S3 and a molecular weight of 3261.03 g/mol. Its IUPAC name is dilithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;aniline;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;dihydroxide.

Molecular Properties

Compound Namedilithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;aniline;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;dihydroxide
PubChem CID158237652
Molecular FormulaC171H199BrClF3Li2N22O26S3
Molecular Weight3261.03 g/mol
Exact Mass3257.32
IUPAC Namedilithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;aniline;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;dihydroxide
SMILESCC(=O)Nc1ccc(N)cc1.CC(=O)Nc1ccc(NC(=O)c2cc3cc(NC(=O)CC(C)(C)C)ccc3n2Cc2ccccc2F)cc1.CC(C)(C)CC(=O)Cl.CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(C(=O)O)n2Cc1ccccc1F.CCOC(=O)c1cc2cc(NC(=O)CC(C)(C)C)ccc2[nH]1.CCOC(=O)c1cc2cc(NC(=O)CC(C)(C)C)ccc2n1Cc1ccccc1F.CCOC(=O)c1cc2cc(NC(=O)CC(C)(C)C)ccc2n1Cc1csc(C)n1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.Cc1nc(CBr)cs1.Cc1nc(Cn2c(C(=O)O)cc3cc(NC(=O)CC(C)(C)C)ccc32)cs1.Nc1ccccc1.[Li+].[Li+].[OH-].[OH-]
InChIInChI=1S/C30H31FN4O3.C24H27FN2O3.C22H23FN2O3.C22H27N3O3S.C20H23N3O3S.C17H22N2O3.C11H10N2O4.C8H10N2O.C6H11ClO.C6H7N.C5H6BrNS.2Li.2H2O/c1-19(36)32-22-9-11-23(12-10-22)34-29(38)27-16-21-15-24(33-28(37)17-30(2,3)4)13-14-26(21)35(27)18-20-7-5-6-8-25(20)31;1-5-30-23(29)21-13-17-12-18(26-22(28)14-24(2,3)4)10-11-20(17)27(21)15-16-8-6-7-9-19(16)25;1-22(2,3)12-20(26)24-16-8-9-18-15(10-16)11-19(21(27)28)25(18)13-14-6-4-5-7-17(14)23;1-6-28-21(27)19-10-15-9-16(24-20(26)11-22(3,4)5)7-8-18(15)25(19)12-17-13-29-14(2)23-17;1-12-21-15(11-27-12)10-23-16-6-5-14(22-18(24)9-20(2,3)4)7-13(16)8-17(23)19(25)26;1-5-22-16(21)14-9-11-8-12(6-7-13(11)19-14)18-15(20)10-17(2,3)4;1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;1-6(11)10-8-4-2-7(9)3-5-8;1-6(2,3)4-5(7)8;7-6-4-2-1-3-5-6;1-4-7-5(2-6)3-8-4;;;;/h5-16H,17-18H2,1-4H3,(H,32,36)(H,33,37)(H,34,38);6-13H,5,14-15H2,1-4H3,(H,26,28);4-11H,12-13H2,1-3H3,(H,24,26)(H,27,28);7-10,13H,6,11-12H2,1-5H3,(H,24,26);5-8,11H,9-10H2,1-4H3,(H,22,24)(H,25,26);6-9,19H,5,10H2,1-4H3,(H,18,20);3-6,12H,2H2,1H3;2-5H,9H2,1H3,(H,10,11);4H2,1-3H3;1-5H,7H2;3H,2H2,1H3;;;2*1H2/q;;;;;;;;;;;2*+1;;/p-2
InChIKeyGFDWIPXHAQBSSV-UHFFFAOYSA-L
XLogP32.89
TPSA708.85 Ų
H-Bond Donors15
H-Bond Acceptors37
Rotatable Bonds39
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003261.03
LogP ≤ 532.89
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze dilithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;aniline;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;dihydroxide with MolForge

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Related Compounds

lithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;1-(bromomethyl)-2-fluorobenzene;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;hydroxide
CID 157142038
lithium;aniline;1-(bromomethyl)-2-fluorobenzene;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-phenylindole-2-carboxamide;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydroxide
CID 157835973
lithium;5-amino-1-[(2,6-difluorophenyl)methyl]-N-phenylindole-2-carboxamide;aniline;2-(chloromethyl)-1,3-difluorobenzene;1-[(2,6-difluorophenyl)methyl]-5-(3,3-dimethylbutanoylamino)-N-phenylindole-2-carboxamide;1-[(2,6-difluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;1-[(2,6-difluorophenyl)methyl]-5-nitro-N-phenylindole-2-carboxamide;3,3-dimethylbutanoyl chloride;bis(ethyl 5-nitro-1H-indole-2-carboxylate);5-nitro-1H-indole-2-carboxylic acid;hydroxide
CID 158191692
lithium;sodium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-(2-phenylethyl)indole-2-carboxamide;aniline;2-bromoethylbenzene;3,3-dimethylbutanoyl chloride;ethyl 5-nitro-1H-indole-2-carboxylate;hydride;5-nitro-1H-indole-2-carboxylic acid;5-nitro-N-phenyl-1H-indole-2-carboxamide;5-nitro-N-phenyl-1-(2-phenylethyl)indole-2-carboxamide;hydroxide
CID 158801072
lithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;1-(bromomethyl)-2-fluorobenzene;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydroxide
CID 159424954
sodium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-(2-phenylethyl)indole-2-carboxamide;2-bromoethylbenzene;1-(bromomethyl)-2-fluorobenzene;bis(3,3-dimethylbutanoyl chloride);ethyl 1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydride;5-nitro-N-phenyl-1H-indole-2-carboxamide;5-nitro-N-phenyl-1-(2-phenylethyl)indole-2-carboxamide
CID 159465436
lithium;sodium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-(2-phenylethyl)indole-2-carboxamide;aniline;2-bromoethylbenzene;3,3-dimethylbutanoyl chloride;bis(ethyl 5-nitro-1H-indole-2-carboxylate);hydride;5-nitro-N-phenyl-1H-indole-2-carboxamide;5-nitro-N-phenyl-1-(2-phenylethyl)indole-2-carboxamide;hydroxide
CID 160955022

Frequently Asked Questions

What is the IUPAC name of dilithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;aniline;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;dihydroxide?
The IUPAC name of dilithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;aniline;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;dihydroxide (CID 158237652) is dilithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;aniline;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;dihydroxide.
What is the SMILES notation for dilithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;aniline;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;dihydroxide?
The canonical SMILES for dilithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;aniline;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;dihydroxide is CC(=O)Nc1ccc(N)cc1.CC(=O)Nc1ccc(NC(=O)c2cc3cc(NC(=O)CC(C)(C)C)ccc3n2Cc2ccccc2F)cc1.CC(C)(C)CC(=O)Cl.CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(C(=O)O)n2Cc1ccccc1F.CCOC(=O)c1cc2cc(NC(=O)CC(C)(C)C)ccc2[nH]1.CCOC(=O)c1cc2cc(NC(=O)CC(C)(C)C)ccc2n1Cc1ccccc1F.CCOC(=O)c1cc2cc(NC(=O)CC(C)(C)C)ccc2n1Cc1csc(C)n1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.Cc1nc(CBr)cs1.Cc1nc(Cn2c(C(=O)O)cc3cc(NC(=O)CC(C)(C)C)ccc32)cs1.Nc1ccccc1.[Li+].[Li+].[OH-].[OH-].
What is the InChIKey of dilithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;aniline;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;dihydroxide?
The InChIKey is GFDWIPXHAQBSSV-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H31FN4O3.C24H27FN2O3.C22H23FN2O3.C22H27N3O3S.C20H23N3O3S.C17H22N2O3.C11H10N2O4.C8H10N2O.C6H11ClO.C6H7N.C5H6BrNS.2Li.2H2O/c1-19(36)32-22-9-11-23(12-10-22)34-29(38)27-16-21-15-24(33-28(37)17-30(2,3)4)13-14-26(21)35(27)18-20-7-5-6-8-25(20)31;1-5-30-23(29)21-13-17-12-18(26-22(28)14-24(2,3)4)10-11-20(17)27(21)15-16-8-6-7-9-19(16)25;1-22(2,3)12-20(26)24-16-8-9-18-15(10-16)11-19(21(27)28)25(18)13-14-6-4-5-7-17(14)23;1-6-28-21(27)19-10-15-9-16(24-20(26)11-22(3,4)5)7-8-18(15)25(19)12-17-13-29-14(2)23-17;1-12-21-15(11-27-12)10-23-16-6-5-14(22-18(24)9-20(2,3)4)7-13(16)8-17(23)19(25)26;1-5-22-16(21)14-9-11-8-12(6-7-13(11)19-14)18-15(20)10-17(2,3)4;1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;1-6(11)10-8-4-2-7(9)3-5-8;1-6(2,3)4-5(7)8;7-6-4-2-1-3-5-6;1-4-7-5(2-6)3-8-4;;;;/h5-16H,17-18H2,1-4H3,(H,32,36)(H,33,37)(H,34,38);6-13H,5,14-15H2,1-4H3,(H,26,28);4-11H,12-13H2,1-3H3,(H,24,26)(H,27,28);7-10,13H,6,11-12H2,1-5H3,(H,24,26);5-8,11H,9-10H2,1-4H3,(H,22,24)(H,25,26);6-9,19H,5,10H2,1-4H3,(H,18,20);3-6,12H,2H2,1H3;2-5H,9H2,1H3,(H,10,11);4H2,1-3H3;1-5H,7H2;3H,2H2,1H3;;;2*1H2/q;;;;;;;;;;;2*+1;;/p-2.
What are the key properties of dilithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;aniline;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;dihydroxide?
dilithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;aniline;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;dihydroxide has a molecular weight of 3261.03 g/mol, XLogP of 32.89, 39 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;aniline;4-(bromomethyl)-2-methyl-1,3-thiazole;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1H-indole-2-carboxylate;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;dihydroxide is sourced from PubChem (CID 158237652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).