General Information of the Compound
| Compound ID |
CP0498043
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| Compound Name |
3-[5-(4-Chloro-phenyl)-3-methyl-3H-[1,3,4]thiadiazol-(2Z)-ylideneamino]-benzoic acid
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| Formula |
C16H12ClN3O2S
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| Molecular Weight |
345.811
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| Canonical SMILES |
Cn1nc(s\c1=N/c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H12ClN3O2S/c1-20-16(18-13-4-2-3-11(9-13)15(21)22)23-14(19-20)10-5-7-12(17)8-6-10/h2-9H,1H3,(H,21,22)/b18-16-
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| InChIKey |
ARXGWWJAFSVHBR-VLGSPTGOSA-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