General Information of the Compound
| Compound ID |
CP0867425
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| Compound Name |
N-(5,6-dihydro-3H-imidazo[2,1-c]-1,2,4-dithiazol-3-ylidene)-2-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
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| Formula |
C15H9ClF3N5OS2
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| Molecular Weight |
431.852
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| Canonical SMILES |
O=C(/N=C1\SSC2=NCCN21)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
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| InChI |
InChI=1S/C15H9ClF3N5OS2/c16-8-1-3-9(4-2-8)24-11(15(17,18)19)10(7-21-24)12(25)22-14-23-6-5-20-13(23)26-27-14/h1-4,7H,5-6H2/b22-14-
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| InChIKey |
MBQARJUZHAIDEX-HMAPJEAMSA-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