General Information of the Compound
| Compound ID |
CP0445218
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| Compound Name |
3-[[4-[1-[6-(6-methoxypyridin-3-yl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]indazol-1-yl]pentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C36H35F3N4O5
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| Molecular Weight |
660.693
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| Canonical SMILES |
CCCCC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(-c2cc(ccc2OC)C(F)(F)F)c2ccc(cc12)-c1ccc(OC)nc1
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| InChI |
InChI=1S/C36H35F3N4O5/c1-4-5-6-29(22-7-9-23(10-8-22)35(46)40-18-17-33(44)45)43-30-19-24(25-12-16-32(48-3)41-21-25)11-14-27(30)34(42-43)28-20-26(36(37,38)39)13-15-31(28)47-2/h7-16,19-21,29H,4-6,17-18H2,1-3H3,(H,40,46)(H,44,45)
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| InChIKey |
YPIUGMFQHBZWOR-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