General Information of the Compound
| Compound ID |
CP0478814
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| Compound Name |
2-[5-chloro-2-[(3-fluoro-4-methoxyphenyl)carbamoyl]phenyl]-5-[[(1R)-1-phenylbutyl]carbamoyl]benzoic acid
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| Structure |
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| Formula |
C32H28ClFN2O5
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| Molecular Weight |
575.036
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| Canonical SMILES |
CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1C(=O)Nc1ccc(OC)c(F)c1)c1ccccc1
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| InChI |
InChI=1S/C32H28ClFN2O5/c1-3-7-28(19-8-5-4-6-9-19)36-30(37)20-10-13-23(26(16-20)32(39)40)25-17-21(33)11-14-24(25)31(38)35-22-12-15-29(41-2)27(34)18-22/h4-6,8-18,28H,3,7H2,1-2H3,(H,35,38)(H,36,37)(H,39,40)/t28-/m1/s1
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| InChIKey |
IWZDLJGIFCXNBL-MUUNZHRXSA-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