General Information of the Compound
| Compound ID |
CP0545448
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| Compound Name |
3-[[4-[1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(4-methylphenyl)indazol-1-yl]butyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C36H34F3N3O4
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| Molecular Weight |
629.679
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| Canonical SMILES |
CCCC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(-c2cc(ccc2OC)C(F)(F)F)c2ccc(cc12)-c1ccc(C)cc1
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| InChI |
InChI=1S/C36H34F3N3O4/c1-4-5-30(24-10-12-25(13-11-24)35(45)40-19-18-33(43)44)42-31-20-26(23-8-6-22(2)7-9-23)14-16-28(31)34(41-42)29-21-27(36(37,38)39)15-17-32(29)46-3/h6-17,20-21,30H,4-5,18-19H2,1-3H3,(H,40,45)(H,43,44)
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| InChIKey |
ZTWOYZCDZLBDLH-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