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Summary Geometry Related PDB entries

KEY

Summary

Name:	N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide
Formula:	C18 H15 Cl N6 O2
Formal charge:	0
Formula weight:	382.804 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide
OpenEye OEToolkits	2.0.6	~{N}-[3-(5-chloranyl-2-methoxy-phenyl)-1-methyl-pyrazol-4-yl]-1~{H}-pyrazolo[4,3-c]pyridine-7-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4(c3nn(cc3NC(=O)c1cncc2c1nnc2)C)cc(Cl)ccc4OC
InChI	InChI	1.03	InChI=1S/C18H15ClN6O2/c1-25-9-14(17(24-25)12-5-11(19)3-4-15(12)27-2)22-18(26)13-8-20-6-10-7-21-23-16(10)13/h3-9H,1-2H3,(H,21,23)(H,22,26)
InChIKey	InChI	1.03	NBFASNUBTMTAFQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(Cl)cc1c2nn(C)cc2NC(=O)c3cncc4cn[nH]c34
SMILES	CACTVS	3.385	COc1ccc(Cl)cc1c2nn(C)cc2NC(=O)c3cncc4cn[nH]c34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cncc4c3[nH]nc4
SMILES	OpenEye OEToolkits	2.0.6	Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cncc4c3[nH]nc4

227111

數據於2024-11-06公開中

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