General Information of the Compound
| Compound ID |
CP0538000
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| Compound Name |
8,10-dimethyl-12-propyl-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
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| Structure |
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| Formula |
C12H14N4S
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| Molecular Weight |
246.339
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| Canonical SMILES |
CCCc1nc(C)c2c(C)nc3scnc3n12
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| InChI |
InChI=1S/C12H14N4S/c1-4-5-9-14-7(2)10-8(3)15-12-11(16(9)10)13-6-17-12/h6H,4-5H2,1-3H3
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| InChIKey |
AJAZAZULCQZVTJ-UHFFFAOYSA-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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A