General Information of the Compound
| Compound ID |
CP0374638
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| Compound Name |
3-[[4-[1-[6-(3-chloro-5-fluorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]indazol-1-yl]pentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C36H32ClF4N3O4
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| Molecular Weight |
682.114
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| Canonical SMILES |
CCCCC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(-c2cc(ccc2OC)C(F)(F)F)c2ccc(cc12)-c1cc(F)cc(Cl)c1
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| InChI |
InChI=1S/C36H32ClF4N3O4/c1-3-4-5-30(21-6-8-22(9-7-21)35(47)42-15-14-33(45)46)44-31-18-23(24-16-26(37)20-27(38)17-24)10-12-28(31)34(43-44)29-19-25(36(39,40)41)11-13-32(29)48-2/h6-13,16-20,30H,3-5,14-15H2,1-2H3,(H,42,47)(H,45,46)
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| InChIKey |
IUTDUNRJDZTXNI-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