G0H Ligand Summary Page - RCSB PDB

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246,413Structures from the PDB archive 1,068,577Computed Structure Models (CSM)

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Data API G0H

4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide

Created:	2018-08-21
Last modified:	2019-08-28

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1 entries where G0H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	0
Bond Count	61
Aromatic Bond Count	29

Toggle HydrogenToggle Labels

Chemical Component Summary
Name	4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide
Systematic Name (OpenEye OEToolkits)	4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide
Formula	C28 H20 F3 N5 O
Molecular Weight	499.487
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(cc1Nc2nc(nc3ccccc23)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1Nc2c3ccccc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F
Canonical SMILES	CACTVS	3.385	Cc1ccc(cc1Nc2nc(nc3ccccc23)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1Nc2c3ccccc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C28H20F3N5O/c1-17-11-12-18(27(37)33-21-8-4-7-20(15-21)28(29,30)31)14-24(17)35-26-22-9-2-3-10-23(22)34-25(36-26)19-6-5-13-32-16-19/h2-16H,1H3,(H,33,37)(H,34,35,36)
InChIKey	InChI	1.03	IGEHRXWXMHBWMM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	138857893

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