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Summary Geometry Related PDB entries

ND2

Summary

Name:	4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine
Formula:	C24 H29 N9 O
Formal charge:	0
Formula weight:	459.547 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C24H29N9O/c1-24(8-9-24)34-22-21-20(5-4-19(28-21)16-12-25-32(3)14-16)29-23(30-22)27-17-13-26-33(15-17)18-6-10-31(2)11-7-18/h4-5,12-15,18H,6-11H2,1-3H3,(H,27,29,30)
InChIKey	InChI	1.03	WGMWEVJCHUDPID-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(ccc5n3)c6cnn(C)c6)cn2
SMILES	CACTVS	3.385	CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(ccc5n3)c6cnn(C)c6)cn2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC1(CC1)Oc2c3c(ccc(n3)c4cnn(c4)C)nc(n2)Nc5cnn(c5)C6CCN(CC6)C
SMILES	OpenEye OEToolkits	2.0.7	CC1(CC1)Oc2c3c(ccc(n3)c4cnn(c4)C)nc(n2)Nc5cnn(c5)C6CCN(CC6)C

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