General Information of the Compound
| Compound ID |
CP0430634
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| Compound Name |
5-(4-chlorophenyl)-3-methyl-N-propyl-1,3,4-thiadiazol-2-imine
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| Formula |
C12H14ClN3S
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| Molecular Weight |
267.785
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| Canonical SMILES |
CCC\N=c1/sc(nn1C)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C12H14ClN3S/c1-3-8-14-12-16(2)15-11(17-12)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3/b14-12-
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| InChIKey |
WVJMWSNMVJLMTK-OWBHPGMISA-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
Protein ID: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A