General Information of the Compound
| Compound ID |
CP0474754
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| Compound Name |
3-[[4-[1-[3-(4-cyanophenyl)-6-[4-(trifluoromethoxy)phenyl]indazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C33H25F3N4O4
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| Molecular Weight |
598.581
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| Canonical SMILES |
CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(-c2ccc(cc2)C#N)c2ccc(cc12)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C33H25F3N4O4/c1-20(22-6-8-25(9-7-22)32(43)38-17-16-30(41)42)40-29-18-26(23-10-13-27(14-11-23)44-33(34,35)36)12-15-28(29)31(39-40)24-4-2-21(19-37)3-5-24/h2-15,18,20H,16-17H2,1H3,(H,38,43)(H,41,42)
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| InChIKey |
YCVPCBGWUSVMHP-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