General Information of the Compound
| Compound ID |
CP0731876
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| Compound Name |
2-(2-Biphenyl-4-yl-3-mercapto-propionylamino)-3-(1H-indol-3-yl)-propionic acid
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| Structure |
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| Formula |
C26H24N2O3S
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| Molecular Weight |
444.556
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| Canonical SMILES |
O=C(O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)c1ccc(-c2ccccc2)cc1
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| InChI |
InChI=1S/C26H24N2O3S/c29-25(22(16-32)19-12-10-18(11-13-19)17-6-2-1-3-7-17)28-24(26(30)31)14-20-15-27-23-9-5-4-8-21(20)23/h1-13,15,22,24,27,32H,14,16H2,(H,28,29)(H,30,31)
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| InChIKey |
LZXLVSWNKGNKNT-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