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Summary Geometry Related PDB entries

A1A1P

Summary

Name:	(12'R)-4'-chloro-9'-(piperidin-4-yl)-5'H-spiro[cyclohexane-1,7'-indolo[1,2-a]quinazolin]-5'-one
Formula:	C25 H26 Cl N3 O
Formal charge:	0
Formula weight:	419.946 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(12'R)-4'-chloro-9'-(piperidin-4-yl)-5'H-spiro[cyclohexane-1,7'-indolo[1,2-a]quinazolin]-5'-one
OpenEye OEToolkits	2.0.7	4'-chloranyl-9'-piperidin-4-yl-spiro[cyclohexane-1,7'-indolo[1,2-a]quinazoline]-5'-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cccc2c1C(=O)N=C1N2c2ccc(cc2C21CCCCC2)C1CCNCC1
InChI	InChI	1.06	InChI=1S/C25H26ClN3O/c26-19-5-4-6-21-22(19)23(30)28-24-25(11-2-1-3-12-25)18-15-17(7-8-20(18)29(21)24)16-9-13-27-14-10-16/h4-8,15-16,27H,1-3,9-14H2
InChIKey	InChI	1.06	MEFDDENEEVLEBY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1cccc2N3c4ccc(cc4C5(CCCCC5)C3=NC(=O)c12)C6CCNCC6
SMILES	CACTVS	3.385	Clc1cccc2N3c4ccc(cc4C5(CCCCC5)C3=NC(=O)c12)C6CCNCC6
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)Cl)C(=O)N=C3N2c4ccc(cc4C35CCCCC5)C6CCNCC6
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)Cl)C(=O)N=C3N2c4ccc(cc4C35CCCCC5)C6CCNCC6

247947

PDB entries from 2026-01-21

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