General Information of the Compound
| Compound ID |
CP0952812
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| Compound Name |
2-(4,5-Dimethyl-1H-pyrazol-3-yl)-2-(1-oxoisoindolin-2-yl)-N-thiazol-2-yl-acetamide
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| Structure |
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| Formula |
C18H17N5O2S
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| Molecular Weight |
367.434
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| Canonical SMILES |
Cc1[nH]nc(C(C(=O)Nc2nccs2)N2Cc3ccccc3C2=O)c1C
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| InChI |
InChI=1S/C18H17N5O2S/c1-10-11(2)21-22-14(10)15(16(24)20-18-19-7-8-26-18)23-9-12-5-3-4-6-13(12)17(23)25/h3-8,15H,9H2,1-2H3,(H,21,22)(H,19,20,24)
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| InChIKey |
KWTNWMDQZNTBEQ-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