General Information of the Compound
| Compound ID |
CP0521137
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| Compound Name |
2-[5-chloro-2-[(3-fluoro-4-methoxyphenyl)carbamoyl]phenyl]-5-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]benzoic acid
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| Structure |
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| Formula |
C30H24ClFN2O6
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| Molecular Weight |
562.981
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| Canonical SMILES |
COc1ccc(NC(=O)c2ccc(Cl)cc2-c2ccc(cc2C(O)=O)C(=O)N[C@H](CO)c2ccccc2)cc1F
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| InChI |
InChI=1S/C30H24ClFN2O6/c1-40-27-12-9-20(15-25(27)32)33-29(37)22-11-8-19(31)14-23(22)21-10-7-18(13-24(21)30(38)39)28(36)34-26(16-35)17-5-3-2-4-6-17/h2-15,26,35H,16H2,1H3,(H,33,37)(H,34,36)(H,38,39)/t26-/m1/s1
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| InChIKey |
IJGJKPVCMBPISA-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