General Information of the Compound
| Compound ID |
CP0471797
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| Compound Name |
2-[2-(1,3-benzoxazol-2-yl)-5-chlorophenyl]-5-[[(1R)-1-phenylbutyl]carbamoyl]benzoic acid
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| Structure |
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| Formula |
C31H25ClN2O4
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| Molecular Weight |
525.004
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| Canonical SMILES |
CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1nc2ccccc2o1)c1ccccc1
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| InChI |
InChI=1S/C31H25ClN2O4/c1-2-8-26(19-9-4-3-5-10-19)33-29(35)20-13-15-22(25(17-20)31(36)37)24-18-21(32)14-16-23(24)30-34-27-11-6-7-12-28(27)38-30/h3-7,9-18,26H,2,8H2,1H3,(H,33,35)(H,36,37)/t26-/m1/s1
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| InChIKey |
VYWVLTRWSHFJET-AREMUKBSSA-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