General Information of the Compound
| Compound ID |
CP0501348
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| Compound Name |
4-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-benzoic acid
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| Formula |
C16H19N3O2S
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| Molecular Weight |
317.414
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| Canonical SMILES |
Cn1nc(s\c1=N/C1CCCCC1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C16H19N3O2S/c1-19-16(17-13-5-3-2-4-6-13)22-14(18-19)11-7-9-12(10-8-11)15(20)21/h7-10,13H,2-6H2,1H3,(H,20,21)/b17-16-
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| InChIKey |
MLQLLPVQUQSOGV-MSUUIHNZSA-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