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Summary Geometry Related PDB entries

5L7

Summary

Name:	2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol
Formula:	C19 H21 N3 O2
Formal charge:	0
Formula weight:	323.389 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol
OpenEye OEToolkits	1.9.2	2-methyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)pyridin-3-yl]methoxy]phenol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(cccc(c1C)O)OCc2cccnc2c3n(ncc3)C(C)C
InChI	InChI	1.03	InChI=1S/C19H21N3O2/c1-13(2)22-16(9-11-21-22)19-15(6-5-10-20-19)12-24-18-8-4-7-17(23)14(18)3/h4-11,13,23H,12H2,1-3H3
InChIKey	InChI	1.03	PHGVAPZBZABAJF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)n1nccc1c2ncccc2COc3cccc(O)c3C
SMILES	CACTVS	3.385	CC(C)n1nccc1c2ncccc2COc3cccc(O)c3C
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1c(cccc1OCc2cccnc2c3ccnn3C(C)C)O
SMILES	OpenEye OEToolkits	1.9.2	Cc1c(cccc1OCc2cccnc2c3ccnn3C(C)C)O

222415

數據於2024-07-10公開中

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