General Information of the Compound
| Compound ID |
CP0456477
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| Compound Name |
US8754233, 5-Methyl-4-(5-trifluoromethylbenzothiazol-2-yl)-1H-pyrazol-3-ylamine
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| Structure |
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| Formula |
C12H9F3N4S
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| Molecular Weight |
298.293
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| Canonical SMILES |
Cc1[nH]nc(N)c1-c1nc2cc(ccc2s1)C(F)(F)F
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| InChI |
InChI=1S/C12H9F3N4S/c1-5-9(10(16)19-18-5)11-17-7-4-6(12(13,14)15)2-3-8(7)20-11/h2-4H,1H3,(H3,16,18,19)
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| InChIKey |
MOTWNZWIXFFOBR-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