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Summary Geometry Related PDB entries

VJZ

Summary

Name:	5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine
Formula:	C23 H23 N7 O
Formal charge:	0
Formula weight:	413.475 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C23H23N7O/c1-15-11-18(20-12-25-29(4)16(20)2)6-7-19(15)22-26-27-23(31-22)28(3)13-17-5-8-21-24-9-10-30(21)14-17/h5-12,14H,13H2,1-4H3
InChIKey	InChI	1.03	SERBYZUNBVTZJZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(Cc1ccc2nccn2c1)c3oc(nn3)c4ccc(cc4C)c5cnn(C)c5C
SMILES	CACTVS	3.385	CN(Cc1ccc2nccn2c1)c3oc(nn3)c4ccc(cc4C)c5cnn(C)c5C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5cnn(c5C)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(ccc1c2nnc(o2)N(C)Cc3ccc4nccn4c3)c5cnn(c5C)C

222415

PDB entries from 2024-07-10

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