General Information of the Compound
| Compound ID |
CP0545452
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| Compound Name |
3-[[4-[1-[3-[4-(dimethylamino)benzoyl]-6-[4-(trifluoromethoxy)phenyl]indazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C35H31F3N4O5
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| Molecular Weight |
644.65
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| Canonical SMILES |
CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(C(=O)c2ccc(cc2)N(C)C)c2ccc(cc12)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C35H31F3N4O5/c1-21(22-4-6-25(7-5-22)34(46)39-19-18-31(43)44)42-30-20-26(23-10-15-28(16-11-23)47-35(36,37)38)12-17-29(30)32(40-42)33(45)24-8-13-27(14-9-24)41(2)3/h4-17,20-21H,18-19H2,1-3H3,(H,39,46)(H,43,44)
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| InChIKey |
UNWQPKHODAIAIW-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