General Information of the Compound
| Compound ID |
CP0378338
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| Compound Name |
2-[5-(4-Chloro-phenyl)-3-methyl-3H-[1,3,4]thiadiazol-(2Z)-ylideneamino]-3-methyl-benzoic acid
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| Formula |
C17H14ClN3O2S
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| Molecular Weight |
359.838
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| Canonical SMILES |
Cc1cccc(C(O)=O)c1\N=c1/sc(nn1C)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C17H14ClN3O2S/c1-10-4-3-5-13(16(22)23)14(10)19-17-21(2)20-15(24-17)11-6-8-12(18)9-7-11/h3-9H,1-2H3,(H,22,23)/b19-17-
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| InChIKey |
JSGVQCIPGFMKPW-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: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A