General Information of the Compound
| Compound ID |
CP0545456
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| Compound Name |
3-[[4-[1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(4-methylphenyl)indazol-1-yl]propyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C35H32F3N3O4
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| Molecular Weight |
615.652
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| Canonical SMILES |
CCC(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/C35H32F3N3O4/c1-4-29(23-9-11-24(12-10-23)34(44)39-18-17-32(42)43)41-30-19-25(22-7-5-21(2)6-8-22)13-15-27(30)33(40-41)28-20-26(35(36,37)38)14-16-31(28)45-3/h5-16,19-20,29H,4,17-18H2,1-3H3,(H,39,44)(H,42,43)
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| InChIKey |
ATGVOFHOFZKLPD-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