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Summary Geometry Related PDB entries

5NP

Summary

Name:	(9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one
Synonyms:	BTA-9881
Formula:	C21 H15 Cl N4 O2
Formal charge:	0
Formula weight:	390.822 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.4	(9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C21H15ClN4O2/c22-16-5-3-15(4-6-16)21-18-13-24-9-7-17(18)20(28)26(21)11-10-25(21)19(27)14-2-1-8-23-12-14/h1-9,12-13H,10-11H2/t21-/m0/s1
InChIKey	InChI	1.03	QZSZPSDRJPPZDZ-NRFANRHFSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1ccc(cc1)[C@]23N(CCN2C(=O)c4ccncc34)C(=O)c5cccnc5
SMILES	CACTVS	3.385	Clc1ccc(cc1)[C]23N(CCN2C(=O)c4ccncc34)C(=O)c5cccnc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	c1cc(cnc1)C(=O)N2CCN3[C@]2(c4cnccc4C3=O)c5ccc(cc5)Cl
SMILES	OpenEye OEToolkits	2.0.4	c1cc(cnc1)C(=O)N2CCN3C2(c4cnccc4C3=O)c5ccc(cc5)Cl

222415

數據於2024-07-10公開中

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