General Information of the Compound
| Compound ID |
CP0485497
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| Compound Name |
N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,2-benzothiazol-5-amine
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| Formula |
C13H11F3N4S
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| Molecular Weight |
312.32
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| Canonical SMILES |
Cn1nc(CNc2ccc3sncc3c2)cc1C(F)(F)F
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| InChI |
InChI=1S/C13H11F3N4S/c1-20-12(13(14,15)16)5-10(19-20)7-17-9-2-3-11-8(4-9)6-18-21-11/h2-6,17H,7H2,1H3
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| InChIKey |
IOHFGYCBXWUVER-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