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Summary Geometry Related PDB entries

1OA

Summary

Name:	N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C18 H18 F N5 O2
Formal charge:	0
Formula weight:	355.366 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
OpenEye OEToolkits	1.7.6	N-(4-fluorophenyl)-7-oxidanyl-5-piperidin-4-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc(cc1)NC(=O)c2c3nc(cc(O)n3nc2)C4CCNCC4
InChI	InChI	1.03	InChI=1S/C18H18FN5O2/c19-12-1-3-13(4-2-12)22-18(26)14-10-21-24-16(25)9-15(23-17(14)24)11-5-7-20-8-6-11/h1-4,9-11,20,25H,5-8H2,(H,22,26)
InChIKey	InChI	1.03	SBDJADVTLNKDBC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	Oc1cc(nc2n1ncc2C(=O)Nc3ccc(F)cc3)C4CCNCC4
SMILES	CACTVS	3.370	Oc1cc(nc2n1ncc2C(=O)Nc3ccc(F)cc3)C4CCNCC4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1cc(ccc1NC(=O)c2cnn3c2nc(cc3O)C4CCNCC4)F
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1NC(=O)c2cnn3c2nc(cc3O)C4CCNCC4)F

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건을2024-07-17부터공개중

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