English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

FKL

Summary

Name:	N-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2H-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide
Formula:	C24 H27 N5 O3
Formal charge:	0
Formula weight:	433.503 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2H-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide
OpenEye OEToolkits	1.5.0	N-cyclopropyl-4-methyl-3-[8-methyl-2-(oxan-4-ylamino)-7-oxo-pyrido[6,5-d]pyrimidin-6-yl]benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC1CC1)c2cc(c(cc2)C)C=4C(=O)N(c3nc(ncc3C=4)NC5CCOCC5)C
SMILES_CANONICAL	CACTVS	3.341	CN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)c4cc(ccc4C)C(=O)NC5CC5
SMILES	CACTVS	3.341	CN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)c4cc(ccc4C)C(=O)NC5CC5
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)NC4CCOCC4)C(=O)NC5CC5
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)NC4CCOCC4)C(=O)NC5CC5
InChI	InChI	1.03	InChI=1S/C24H27N5O3/c1-14-3-4-15(22(30)26-17-5-6-17)11-19(14)20-12-16-13-25-24(27-18-7-9-32-10-8-18)28-21(16)29(2)23(20)31/h3-4,11-13,17-18H,5-10H2,1-2H3,(H,26,30)(H,25,27,28)
InChIKey	InChI	1.03	HYTAHRCKAXESOF-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

PDB statistics

PDBj update info

Contact PDBj

numon