General Information of the Compound
| Compound ID |
CP0491849
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| Compound Name |
5-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-2-methoxy-benzene-1,3-diol
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| Formula |
C16H21N3O3S
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| Molecular Weight |
335.429
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| Canonical SMILES |
COc1c(O)cc(cc1O)-c1nn(C)\c(=N\C2CCCCC2)s1
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| InChI |
InChI=1S/C16H21N3O3S/c1-19-16(17-11-6-4-3-5-7-11)23-15(18-19)10-8-12(20)14(22-2)13(21)9-10/h8-9,11,20-21H,3-7H2,1-2H3/b17-16-
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| InChIKey |
UZDBDDOQDGKSBO-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