(4-amino-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;3-methyl-4-nitrobenzoic acid;(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone

C147H121N23O11 — CID 158513476

IUPAC(4-amino-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;3-methyl-4-nitrobenzoic acid;(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.Cc1cc(C(=O)N2CCN(C)CC2)ccc1N.Cc1cc(C(=O)N2CCN(C)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.Cc1cc(C(=O)N2CCN(C)CC2)ccc1Nc1nc(NC2CCCCC2)c2ncn(C3CCCCO3)c2n1.Cc1cc(C(=O)N2CCN(C)CC2)ccc1[N+](=O)[O-].Cc1cc(C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C60H6.C29H40N8O2.C24H32N8O.C13H17N3O3.C13H19N3O.C8H7NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-20-18-21(28(38)36-15-13-35(2)14-16-36)11-12-23(20)32-29-33-26(31-22-8-4-3-5-9-22)25-27(34-29)37(19-30-25)24-10-6-7-17-39-24;1-16-14-17(23(33)32-12-10-31(2)11-13-32)8-9-19(16)28-24-29-21-20(25-15-26-21)22(30-24)27-18-6-4-3-5-7-18;1-10-9-11(3-4-12(10)16(18)19)13(17)15-7-5-14(2)6-8-15;1-10-9-11(3-4-12(10)14)13(17)16-7-5-15(2)6-8-16;1-5-4-6(8(10)11)2-3-7(5)9(12)13/h1-2H3;11-12,18-19,22,24H,3-10,13-17H2,1-2H3,(H2,31,32,33,34);8-9,14-15,18H,3-7,10-13H2,1-2H3,(H3,25,26,27,28,29,30);3-4,9H,5-8H2,1-2H3;3-4,9H,5-8,14H2,1-2H3;2-4H,1H3,(H,10,11)
InChIKeyHLIOXBAOTHCTHU-UHFFFAOYSA-N
MW2385.73 g/mol
LogP13.23
Rot. Bonds16

About (4-amino-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;3-methyl-4-nitrobenzoic acid;(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone

(4-amino-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;3-methyl-4-nitrobenzoic acid;(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 158513476) has the molecular formula C147H121N23O11 and a molecular weight of 2385.73 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;3-methyl-4-nitrobenzoic acid;(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;3-methyl-4-nitrobenzoic acid;(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID158513476
Molecular FormulaC147H121N23O11
Molecular Weight2385.73 g/mol
Exact Mass2383.96
IUPAC Name(4-amino-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;3-methyl-4-nitrobenzoic acid;(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.Cc1cc(C(=O)N2CCN(C)CC2)ccc1N.Cc1cc(C(=O)N2CCN(C)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.Cc1cc(C(=O)N2CCN(C)CC2)ccc1Nc1nc(NC2CCCCC2)c2ncn(C3CCCCO3)c2n1.Cc1cc(C(=O)N2CCN(C)CC2)ccc1[N+](=O)[O-].Cc1cc(C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C60H6.C29H40N8O2.C24H32N8O.C13H17N3O3.C13H19N3O.C8H7NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-20-18-21(28(38)36-15-13-35(2)14-16-36)11-12-23(20)32-29-33-26(31-22-8-4-3-5-9-22)25-27(34-29)37(19-30-25)24-10-6-7-17-39-24;1-16-14-17(23(33)32-12-10-31(2)11-13-32)8-9-19(16)28-24-29-21-20(25-15-26-21)22(30-24)27-18-6-4-3-5-7-18;1-10-9-11(3-4-12(10)16(18)19)13(17)15-7-5-14(2)6-8-15;1-10-9-11(3-4-12(10)14)13(17)16-7-5-15(2)6-8-16;1-5-4-6(8(10)11)2-3-7(5)9(12)13/h1-2H3;11-12,18-19,22,24H,3-10,13-17H2,1-2H3,(H2,31,32,33,34);8-9,14-15,18H,3-7,10-13H2,1-2H3,(H3,25,26,27,28,29,30);3-4,9H,5-8H2,1-2H3;3-4,9H,5-8,14H2,1-2H3;2-4H,1H3,(H,10,11)
InChIKeyHLIOXBAOTHCTHU-UHFFFAOYSA-N
XLogP13.23
TPSA399.21 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002385.73
LogP ≤ 513.23
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (4-amino-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;3-methyl-4-nitrobenzoic acid;(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

3-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]benzoic acid;ethyl 4-[[2-[(4-aminocyclohexyl)amino]-7H-purin-6-yl]amino]piperidine-1-carboxylate
CID 70006042
2-[4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-8-nitropyrimido[5,4-b]indol-5-yl]acetonitrile;4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole-8-carboxylic acid
CID 88063261
[6-(cyclohexylamino)-2-[2-methyl-4-(2-pyridin-3-ylethylcarbamoyl)anilino]-7H-purin-8-yl]methyl 4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylbenzoate
CID 144060960
ethyl 4-[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]quinazolin-4-yl]benzoate;N-hydroxy-4-[2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-yl]benzamide;1-iodopropane;vanadium
CID 157187444
(5-amino-6-methyl-2-pyridinyl)-morpholin-4-ylmethanone;[5-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-6-methyl-2-pyridinyl]-morpholin-4-ylmethanone;methane;6-methyl-5-nitropyridine-2-carboxylic acid;(6-methyl-5-nitro-2-pyridinyl)-morpholin-4-ylmethanone
CID 157771431
2-chloro-N-cyclohexyl-7H-purin-6-amine;4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylbenzoic acid;4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methyl-N-(2-pyridin-3-ylethyl)benzamide;hexaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontayne;2-methyloxolane
CID 158735419
5-(aminomethyl)-2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-3-phenylquinazolin-4-one;3-boronobenzoic acid;ethane;[3-[[2-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]propyl]-4-oxo-3-phenylquinazolin-5-yl]methylcarbamoyl]phenyl]boronic acid;[3-[[4-oxo-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-5-yl]methylcarbamoyl]phenyl]boronic acid;vanadium
CID 158865051
amino 5-[[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]benzoyl]amino]pentanoate;4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-N-[5-(oxan-2-yl)-5-oxopentyl]benzamide;methane;nitroxyl;hydrochloride
CID 160254511
Lithium;6-[[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]benzoyl]amino]hexanoic acid;methyl 6-[[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]benzoyl]amino]hexanoate;hydroxide
CID 160439205
Ethyl 3-[[3-amino-4-(methylamino)benzoyl]-pyridin-2-ylamino]propanoate;ethyl 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;ethyl 3-[[2-[2-(4-isocyanophenyl)ethyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;ethyl 3-[[4-(methylamino)-3-nitrobenzoyl]-pyridin-2-ylamino]propanoate;ethyl 3-(pyridin-2-ylamino)propanoate;hexyl carbonochloridate;3-(4-isocyanophenyl)propanoic acid;4-(methylamino)-3-nitrobenzoic acid;hydrochloride
CID 160658387
N-[2-(4-aminophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;bis(N-[4-[6-(cyclohexanecarbonylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide);methanol;4-nitrobenzoic acid;2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-amine;N-[2-(4-nitrophenyl)-3H-imidazo[4,5-c]pyridin-6-yl]cyclohexanecarboxamide;pyridine-2,4,5-triamine
CID 161047287
Lithium;5-[[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]benzoyl]amino]pentanoic acid;methyl 5-[[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]benzoyl]amino]pentanoate;hydroxide
CID 161053950

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;3-methyl-4-nitrobenzoic acid;(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;3-methyl-4-nitrobenzoic acid;(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone (CID 158513476) is (4-amino-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;3-methyl-4-nitrobenzoic acid;(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;3-methyl-4-nitrobenzoic acid;(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;3-methyl-4-nitrobenzoic acid;(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone is CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.Cc1cc(C(=O)N2CCN(C)CC2)ccc1N.Cc1cc(C(=O)N2CCN(C)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.Cc1cc(C(=O)N2CCN(C)CC2)ccc1Nc1nc(NC2CCCCC2)c2ncn(C3CCCCO3)c2n1.Cc1cc(C(=O)N2CCN(C)CC2)ccc1[N+](=O)[O-].Cc1cc(C(=O)O)ccc1[N+](=O)[O-].
What is the InChIKey of (4-amino-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;3-methyl-4-nitrobenzoic acid;(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is HLIOXBAOTHCTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H6.C29H40N8O2.C24H32N8O.C13H17N3O3.C13H19N3O.C8H7NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-20-18-21(28(38)36-15-13-35(2)14-16-36)11-12-23(20)32-29-33-26(31-22-8-4-3-5-9-22)25-27(34-29)37(19-30-25)24-10-6-7-17-39-24;1-16-14-17(23(33)32-12-10-31(2)11-13-32)8-9-19(16)28-24-29-21-20(25-15-26-21)22(30-24)27-18-6-4-3-5-7-18;1-10-9-11(3-4-12(10)16(18)19)13(17)15-7-5-14(2)6-8-15;1-10-9-11(3-4-12(10)14)13(17)16-7-5-15(2)6-8-16;1-5-4-6(8(10)11)2-3-7(5)9(12)13/h1-2H3;11-12,18-19,22,24H,3-10,13-17H2,1-2H3,(H2,31,32,33,34);8-9,14-15,18H,3-7,10-13H2,1-2H3,(H3,25,26,27,28,29,30);3-4,9H,5-8H2,1-2H3;3-4,9H,5-8,14H2,1-2H3;2-4H,1H3,(H,10,11).
What are the key properties of (4-amino-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;3-methyl-4-nitrobenzoic acid;(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone?
(4-amino-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;3-methyl-4-nitrobenzoic acid;(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 2385.73 g/mol, XLogP of 13.23, 16 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-9-(oxan-2-yl)purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methylphenyl]-(4-methylpiperazin-1-yl)methanone;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;3-methyl-4-nitrobenzoic acid;(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 158513476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).