General Information of the Compound
| Compound ID |
CP0379298
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| Compound Name |
2-Chloro-5-{5-[(Z)-cyclohexylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-N-ethyl-benzenesulfonamide
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| Formula |
C17H23ClN4O2S2
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| Molecular Weight |
414.984
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| Canonical SMILES |
CCNS(=O)(=O)c1cc(ccc1Cl)-c1nn(C)\c(=N\C2CCCCC2)s1
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| InChI |
InChI=1S/C17H23ClN4O2S2/c1-3-19-26(23,24)15-11-12(9-10-14(15)18)16-21-22(2)17(25-16)20-13-7-5-4-6-8-13/h9-11,13,19H,3-8H2,1-2H3/b20-17-
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| InChIKey |
LKHKGUJZRJJYTR-JZJYNLBNSA-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