General Information of the Compound
| Compound ID |
CP0380118
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| Compound Name |
3-[[4-[1-[3-(4,5-difluoro-2-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]indazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C33H26F5N3O5
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| Molecular Weight |
639.577
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| Canonical SMILES |
COc1cc(F)c(F)cc1-c1nn(C(C)c2ccc(cc2)C(=O)NCCC(O)=O)c2cc(ccc12)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C33H26F5N3O5/c1-18(19-3-5-21(6-4-19)32(44)39-14-13-30(42)43)41-28-15-22(20-7-10-23(11-8-20)46-33(36,37)38)9-12-24(28)31(40-41)25-16-26(34)27(35)17-29(25)45-2/h3-12,15-18H,13-14H2,1-2H3,(H,39,44)(H,42,43)
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| InChIKey |
MTQWTVSSOQLSBB-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