General Information of the Compound
| Compound ID |
CP0223616
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| Compound Name |
N-[4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)phenyl]acetamide
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| Formula |
C17H22N4OS
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| Molecular Weight |
330.457
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-c1nn(C)\c(=N\C2CCCCC2)s1
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| InChI |
InChI=1S/C17H22N4OS/c1-12(22)18-15-10-8-13(9-11-15)16-20-21(2)17(23-16)19-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,18,22)/b19-17-
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| InChIKey |
HMLIQWYFUWNFED-ZPHPHTNESA-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