N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)-trans-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide (CHEBI:43554)

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CHEBI:43554 - N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)-trans-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide

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ChEBI ID	CHEBI:43554
ChEBI Name	N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)-trans-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide
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ASCII Name	N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)-trans-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide
Last Modified	17 October 2009
Downloads	Molfile

Formula	C33H39N9O2
Net Charge	0
Average Mass	593.736
Monoisotopic Mass	593.32267
SMILES	[H]c1nc(N([H])[H])c2c(-c3c([H])c([H])c(N([H])C(=O)c4c([H])c5c([H])c([H])c([H])c([H])c5n4C([H])([H])[H])c(OC([H])([H])[H])c3[H])nn([C@]3([H])C([H])([H])C([H])([H])[C@@]([H])(N4C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C4([H])[H])C([H])([H])C3([H])[H])c2n1
InChI	InChI=1S/C33H39N9O2/c1-39-14-16-41(17-15-39)23-9-11-24(12-10-23)42-32-29(31(34)35-20-36-32)30(38-42)22-8-13-25(28(19-22)44-3)37-33(43)27-18-21-6-4-5-7-26(21)40(27)2/h4-8,13,18-20,23-24H,9-12,14-17H2,1-3H3,(H,37,43)(H2,34,35,36)/t23-,24-
InChIKey	STVKLDUINKMZFE-RQNOJGIXSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)-trans-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide (CHEBI:43554) is a N-alkylpiperazine (CHEBI:46845)
	N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)-trans-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide (CHEBI:43554) is a N-methylpiperazine (CHEBI:46920)
	N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)-trans-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide (CHEBI:43554) is a indolecarboxamide (CHEBI:46921)
	N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)-trans-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide (CHEBI:43554) is a pyrazolopyrimidine (CHEBI:38669)

Synonyms	Source
N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl)-trans-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide	PDBeChem
N-(4-{4-amino-1-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide	PDBeChem

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