General Information of the Compound
| Compound ID |
CP0380122
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| Compound Name |
3-[[4-[1-[3-(2-methoxypyridin-3-yl)-6-[4-(trifluoromethoxy)phenyl]indazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C32H27F3N4O5
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| Molecular Weight |
604.585
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| Canonical SMILES |
COc1ncccc1-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/C32H27F3N4O5/c1-19(20-5-7-22(8-6-20)30(42)36-17-15-28(40)41)39-27-18-23(21-9-12-24(13-10-21)44-32(33,34)35)11-14-25(27)29(38-39)26-4-3-16-37-31(26)43-2/h3-14,16,18-19H,15,17H2,1-2H3,(H,36,42)(H,40,41)
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| InChIKey |
AYRKJCVIDKUYMS-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