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Summary Geometry Related PDB entries

O5P

Summary

Name:	[(3R)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1H-pyrazol-3-yl]methanone
Formula:	C21 H22 N4 O2
Formal charge:	0
Formula weight:	362.425 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	[(3R)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1H-pyrazol-3-yl]methanone
OpenEye OEToolkits	2.0.7	[5-(4-methylpyridin-2-yl)-1~{H}-pyrazol-3-yl]-[(3~{R})-3-(phenylmethyl)morpholin-4-yl]methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4(cc(c3cc(C(N2CCOCC2Cc1ccccc1)=O)nn3)ncc4)C
InChI	InChI	1.03	InChI=1S/C21H22N4O2/c1-15-7-8-22-18(11-15)19-13-20(24-23-19)21(26)25-9-10-27-14-17(25)12-16-5-3-2-4-6-16/h2-8,11,13,17H,9-10,12,14H2,1H3,(H,23,24)/t17-/m1/s1
InChIKey	InChI	1.03	MZWBXVWTKIKBTJ-QGZVFWFLSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccnc(c1)c2[nH]nc(c2)C(=O)N3CCOC[C@H]3Cc4ccccc4
SMILES	CACTVS	3.385	Cc1ccnc(c1)c2[nH]nc(c2)C(=O)N3CCOC[CH]3Cc4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccnc(c1)c2cc(n[nH]2)C(=O)N3CCOC[C@H]3Cc4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccnc(c1)c2cc(n[nH]2)C(=O)N3CCOCC3Cc4ccccc4

222415

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