General Information of the Compound
| Compound ID |
CP0456653
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| Compound Name |
3-[[4-[1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(5-methylthiophen-2-yl)indazol-1-yl]pentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C35H34F3N3O4S
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| Molecular Weight |
649.735
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| Canonical SMILES |
CCCCC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(-c2cc(ccc2OC)C(F)(F)F)c2ccc(cc12)-c1ccc(C)s1
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| InChI |
InChI=1S/C35H34F3N3O4S/c1-4-5-6-28(22-8-10-23(11-9-22)34(44)39-18-17-32(42)43)41-29-19-24(31-16-7-21(2)46-31)12-14-26(29)33(40-41)27-20-25(35(36,37)38)13-15-30(27)45-3/h7-16,19-20,28H,4-6,17-18H2,1-3H3,(H,39,44)(H,42,43)
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| InChIKey |
BLNBGANNOYYDSA-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