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Summary Geometry Related PDB entries

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Summary

Name:	N-[(4R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-fluoren-9-yl]quinoline-5-carboxamide
Formula:	C29 H19 N5 O
Formal charge:	0
Formula weight:	453.494 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(4R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-fluoren-9-yl]quinoline-5-carboxamide
OpenEye OEToolkits	1.7.2	N-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-fluoren-9-yl]quinoline-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c2c1cccnc1ccc2)NC=6C5=CC=CC(c4nc3ccncc3n4)C5=C7C=CC=CC=67
SMILES_CANONICAL	CACTVS	3.370	O=C(NC1=C2C=CC=CC2=C3[C@@H](C=CC=C13)c4[nH]c5cnccc5n4)c6cccc7ncccc67
SMILES	CACTVS	3.370	O=C(NC1=C2C=CC=CC2=C3[CH](C=CC=C13)c4[nH]c5cnccc5n4)c6cccc7ncccc67
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	c1cc(c2cccnc2c1)C(=O)NC3=C4C=CC=CC4=C5C3=CC=CC5c6[nH]c7cnccc7n6
SMILES	OpenEye OEToolkits	1.7.2	c1cc(c2cccnc2c1)C(=O)NC3=C4C=CC=CC4=C5C3=CC=CC5c6[nH]c7cnccc7n6
InChI	InChI	1.03	InChI=1S/C29H19N5O/c35-29(20-8-4-12-23-17(20)11-5-14-31-23)34-27-19-7-2-1-6-18(19)26-21(27)9-3-10-22(26)28-32-24-13-15-30-16-25(24)33-28/h1-16,22H,(H,32,33)(H,34,35)/t22-/m1/s1
InChIKey	InChI	1.03	YDMHGGAKCRWQBD-JOCHJYFZSA-N

222415

數據於2024-07-10公開中

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