Compound ID	CP0195439
Compound Name	4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)benzoic acid     Show/Hide
Structure
Formula	C28H22Cl2F3N3O4
Molecular Weight	592.401
Canonical SMILES	CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F     Show/Hide
InChI	InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)     Show/Hide
InChIKey	KNWXWQGSCZVUGX-UHFFFAOYSA-N
Physicochemical Property	logP 7.8532 Rotatable Bonds 9 Heavy Atom Count 40 Polar Areas 88.69 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Complexity 40 "RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count).     Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID	CID: 44476535 SID: 85757433
ChEMBL ID	CHEMBL1209173

Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity