7AU

(4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol

Created:	2016-09-26
Last modified:	2017-10-11

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1 entries where 7AU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	0
Bond Count	60
Aromatic Bond Count	22

2D diagram of 7AU

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Chemical Component Summary
Name	(4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol
Systematic Name (OpenEye OEToolkits)	[4-[4-chloranyl-1-methyl-2-(4-piperazin-1-ylphenyl)pyrrolo[2,3-b]pyridin-3-yl]phenyl]methanol
Formula	C₂₅ H₂₅ Cl N₄ O
Molecular Weight	432.945
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1CNCCN1c2ccc(cc2)c4n(C)c3c(c(ccn3)Cl)c4c5ccc(cc5)CO
SMILES	CACTVS	3.385	Cn1c2nccc(Cl)c2c(c3ccc(CO)cc3)c1c4ccc(cc4)N5CCNCC5
SMILES	OpenEye OEToolkits	2.0.6	Cn1c(c(c2c1nccc2Cl)c3ccc(cc3)CO)c4ccc(cc4)N5CCNCC5
Canonical SMILES	CACTVS	3.385	Cn1c2nccc(Cl)c2c(c3ccc(CO)cc3)c1c4ccc(cc4)N5CCNCC5
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cn1c(c(c2c1nccc2Cl)c3ccc(cc3)CO)c4ccc(cc4)N5CCNCC5
InChI	InChI	1.03	InChI=1S/C25H25ClN4O/c1-29-24(19-6-8-20(9-7-19)30-14-12-27-13-15-30)22(18-4-2-17(16-31)3-5-18)23-21(26)10-11-28-25(23)29/h2-11,27,31H,12-16H2,1H3
InChIKey	InChI	1.03	LGVBWTYRZTXNEO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	53250611
ChEMBL	CHEMBL4080621

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