General Information of the Compound
| Compound ID |
CP0546660
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| Compound Name |
3-[[4-[(4-chlorophenyl)methyl]phenyl]methylsulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid
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| Structure |
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| Formula |
C25H24ClNO4S
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| Molecular Weight |
469.99
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| Canonical SMILES |
OC(=O)C(CSCc1ccc(Cc2ccc(Cl)cc2)cc1)NC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C25H24ClNO4S/c26-22-12-10-19(11-13-22)14-18-6-8-21(9-7-18)16-32-17-23(24(28)29)27-25(30)31-15-20-4-2-1-3-5-20/h1-13,23H,14-17H2,(H,27,30)(H,28,29)
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| InChIKey |
GUTYLTIONPNDOX-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