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0TA

Summary

Name:	2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one
Formula:	C16 H18 N6 O
Formal charge:	0
Formula weight:	310.354 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one
OpenEye OEToolkits	1.7.6	2-azanyl-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2N(c1nc(nc(c1C=C2c3cnnc3)C)N)C4CCCC4
InChI	InChI	1.03	InChI=1S/C16H18N6O/c1-9-12-6-13(10-7-18-19-8-10)15(23)22(11-4-2-3-5-11)14(12)21-16(17)20-9/h6-8,11H,2-5H2,1H3,(H,18,19)(H2,17,20,21)
InChIKey	InChI	1.03	VMGMCPMGGFUNMP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	Cc1nc(N)nc2N(C3CCCC3)C(=O)C(=Cc12)c4c[nH]nc4
SMILES	CACTVS	3.370	Cc1nc(N)nc2N(C3CCCC3)C(=O)C(=Cc12)c4c[nH]nc4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3c[nH]nc3)C4CCCC4
SMILES	OpenEye OEToolkits	1.7.6	Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3c[nH]nc3)C4CCCC4

223532

PDB entries from 2024-08-07

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