General Information of the Compound
| Compound ID |
CP0487175
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| Compound Name |
5-(4-chlorophenyl)-N-cyclobutyl-3-methyl-1,3,4-thiadiazol-2-imine
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| Formula |
C13H14ClN3S
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| Molecular Weight |
279.796
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| Canonical SMILES |
Cn1nc(s\c1=N/C1CCC1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C13H14ClN3S/c1-17-13(15-11-3-2-4-11)18-12(16-17)9-5-7-10(14)8-6-9/h5-8,11H,2-4H2,1H3/b15-13-
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| InChIKey |
GSXJNCOIBLABDQ-SQFISAMPSA-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