General Information of the Compound
| Compound ID |
CP0415788
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| Compound Name |
3-[[4-[1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]indazol-1-yl]pentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C37H33F6N3O4
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| Molecular Weight |
697.676
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| Canonical SMILES |
CCCCC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(-c2cc(ccc2OC)C(F)(F)F)c2ccc(cc12)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C37H33F6N3O4/c1-3-4-5-30(23-6-8-24(9-7-23)35(49)44-19-18-33(47)48)46-31-20-25(22-10-13-26(14-11-22)36(38,39)40)12-16-28(31)34(45-46)29-21-27(37(41,42)43)15-17-32(29)50-2/h6-17,20-21,30H,3-5,18-19H2,1-2H3,(H,44,49)(H,47,48)
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| InChIKey |
XFRFVGHDRBIEOP-UHFFFAOYSA-N
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| Physicochemical Property |
"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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound