General Information of the Compound
| Compound ID |
CP0415287
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| Compound Name |
2-(2-(benzylamino)-4-(4-chlorophenyl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C18H15ClN2O2S
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| Molecular Weight |
358.85
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| Canonical SMILES |
OC(=O)Cc1sc(NCc2ccccc2)nc1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H15ClN2O2S/c19-14-8-6-13(7-9-14)17-15(10-16(22)23)24-18(21-17)20-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,21)(H,22,23)
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| InChIKey |
IIXZWILRBFHZPU-UHFFFAOYSA-N
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| CAS |
71013-54-2
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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