58C

cis-4-{[2-(1H-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol

Created:	2015-08-20
Last modified:	2016-08-17

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1 entries where 58C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	21

2D diagram of 58C

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Chemical Component Summary
Name	cis-4-{[2-(1H-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol
Systematic Name (OpenEye OEToolkits)	4-[2-(1H-benzimidazol-5-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
Formula	C₂₁ H₂₁ N₅ O₂
Molecular Weight	375.424
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c12cccc(c1nc(nc2)Nc4ccc3c(ncn3)c4)OC5CCC(CC5)O
SMILES	CACTVS	3.385	O[CH]1CC[CH](CC1)Oc2cccc3cnc(Nc4ccc5[nH]cnc5c4)nc23
SMILES	OpenEye OEToolkits	1.9.2	c1cc2cnc(nc2c(c1)OC3CCC(CC3)O)Nc4ccc5c(c4)nc[nH]5
Canonical SMILES	CACTVS	3.385	O[C@H]1CC[C@H](CC1)Oc2cccc3cnc(Nc4ccc5[nH]cnc5c4)nc23
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc2cnc(nc2c(c1)OC3CCC(CC3)O)Nc4ccc5c(c4)nc[nH]5
InChI	InChI	1.03	InChI=1S/C21H21N5O2/c27-15-5-7-16(8-6-15)28-19-3-1-2-13-11-22-21(26-20(13)19)25-14-4-9-17-18(10-14)24-12-23-17/h1-4,9-12,15-16,27H,5-8H2,(H,23,24)(H,22,25,26)/t15-,16+
InChIKey	InChI	1.03	FYWRWBSYRGSWIQ-IYBDPMFKSA-N

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