General Information of the Compound
| Compound ID |
CP0545455
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| Compound Name |
3-[[4-[1-[3-(4-chloro-3-fluorophenyl)-6-[4-(trifluoromethoxy)phenyl]indazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C32H24ClF4N3O4
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| Molecular Weight |
626.006
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| Canonical SMILES |
CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(-c2ccc(Cl)c(F)c2)c2ccc(cc12)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C32H24ClF4N3O4/c1-18(19-2-4-21(5-3-19)31(43)38-15-14-29(41)42)40-28-17-22(20-6-10-24(11-7-20)44-32(35,36)37)8-12-25(28)30(39-40)23-9-13-26(33)27(34)16-23/h2-13,16-18H,14-15H2,1H3,(H,38,43)(H,41,42)
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| InChIKey |
WDPNNRCZWVGLPU-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