General Information of the Compound
| Compound ID |
CP0474757
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| Compound Name |
3-[[4-[1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(4-methylsulfanylphenyl)indazol-1-yl]pentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C37H36F3N3O4S
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| Molecular Weight |
675.773
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| Canonical SMILES |
CCCCC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(-c2cc(ccc2OC)C(F)(F)F)c2ccc(cc12)-c1ccc(SC)cc1
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| InChI |
InChI=1S/C37H36F3N3O4S/c1-4-5-6-31(24-7-9-25(10-8-24)36(46)41-20-19-34(44)45)43-32-21-26(23-11-15-28(48-3)16-12-23)13-17-29(32)35(42-43)30-22-27(37(38,39)40)14-18-33(30)47-2/h7-18,21-22,31H,4-6,19-20H2,1-3H3,(H,41,46)(H,44,45)
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| InChIKey |
XEZCMRFFTWSAPK-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