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Summary Geometry Related PDB entries

FNC

Summary

Name:	3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
Formula:	C19 H23 N5 O
Formal charge:	0
Formula weight:	337.419 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C19H23N5O/c1-23-11-14(13-6-4-3-5-7-13)10-15(12-23)21-19-22-16-8-9-20-17(16)18(25)24(19)2/h3-9,14-15,20H,10-12H2,1-2H3,(H,21,22)/t14-,15+/m0/s1
InChIKey	InChI	1.03	JRIBEBYKWORBGC-LSDHHAIUSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C[C@@H](C[C@@H](C1)c2ccccc2)NC3=Nc4cc[nH]c4C(=O)N3C
SMILES	CACTVS	3.385	CN1C[CH](C[CH](C1)c2ccccc2)NC3=Nc4cc[nH]c4C(=O)N3C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	CN1CC(CC(C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccccc4

222415

건을2024-07-10부터공개중

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