General Information of the Compound
| Compound ID |
CP0440394
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| Compound Name |
(S)-2-(2,4-dichloro-N-(4-(thiazol-2-yl)benzyl)benzamido)-3-phenylpropanoic acid
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| Structure |
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| Formula |
C26H20Cl2N2O3S
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| Molecular Weight |
511.43
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(cc1)-c1nccs1)C(=O)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C26H20Cl2N2O3S/c27-20-10-11-21(22(28)15-20)25(31)30(23(26(32)33)14-17-4-2-1-3-5-17)16-18-6-8-19(9-7-18)24-29-12-13-34-24/h1-13,15,23H,14,16H2,(H,32,33)/t23-/m0/s1
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| InChIKey |
SQXQXPOVONSJCL-QHCPKHFHSA-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