General Information of the Compound
| Compound ID |
CP0403514
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| Compound Name |
2-[3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]carbamoyl]-4-(propanoylamino)phenoxy]-4-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C27H27ClN2O6
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| Molecular Weight |
510.974
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| Canonical SMILES |
CCC(=O)Nc1ccc(Oc2cc(CC(O)=O)ccc2OC)c(c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H27ClN2O6/c1-4-25(31)30-20-10-12-22(36-24-13-17(14-26(32)33)5-11-23(24)35-3)21(15-20)27(34)29-16(2)18-6-8-19(28)9-7-18/h5-13,15-16H,4,14H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)/t16-/m0/s1
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| InChIKey |
FSNHKJDEBPJYLW-INIZCTEOSA-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