General Information of the Compound
| Compound ID |
CP0544975
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| Compound Name |
3-[[4-(4-chlorophenyl)phenyl]methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid
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| Structure |
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| Formula |
C24H22ClNO4S
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| Molecular Weight |
455.963
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| Canonical SMILES |
OC(=O)C(CSCc1ccc(cc1)-c1ccc(Cl)cc1)NC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C24H22ClNO4S/c25-21-12-10-20(11-13-21)19-8-6-18(7-9-19)15-31-16-22(23(27)28)26-24(29)30-14-17-4-2-1-3-5-17/h1-13,22H,14-16H2,(H,26,29)(H,27,28)
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| InChIKey |
KYYZOTUVRQFMLA-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