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Summary Geometry Related PDB entries

1KO

Summary

Name:	2-(4-chlorophenyl)-8-[(3S)-piperidin-3-ylamino]imidazo[1,2-c]pyrimidine-5-carboxamide
Formula:	C18 H19 Cl N6 O
Formal charge:	0
Formula weight:	370.836 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-(4-chlorophenyl)-8-[(3S)-piperidin-3-ylamino]imidazo[1,2-c]pyrimidine-5-carboxamide
OpenEye OEToolkits	1.7.6	2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-c]pyrimidine-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc4ccc(c1nc2c(cnc(C(=O)N)n2c1)NC3CCCNC3)cc4
InChI	InChI	1.03	InChI=1S/C18H19ClN6O/c19-12-5-3-11(4-6-12)15-10-25-17(24-15)14(9-22-18(25)16(20)26)23-13-2-1-7-21-8-13/h3-6,9-10,13,21,23H,1-2,7-8H2,(H2,20,26)/t13-/m0/s1
InChIKey	InChI	1.03	VUQDZGWRLHHYTB-ZDUSSCGKSA-N
SMILES_CANONICAL	CACTVS	3.370	NC(=O)c1ncc(N[C@H]2CCCNC2)c3nc(cn13)c4ccc(Cl)cc4
SMILES	CACTVS	3.370	NC(=O)c1ncc(N[CH]2CCCNC2)c3nc(cn13)c4ccc(Cl)cc4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1cc(ccc1c2cn3c(n2)c(cnc3C(=O)N)N[C@H]4CCCNC4)Cl
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1c2cn3c(n2)c(cnc3C(=O)N)NC4CCCNC4)Cl

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건을2024-07-24부터공개중

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