General Information of the Compound
| Compound ID |
CP0385893
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| Compound Name |
US9085584, 38
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| Structure |
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| Formula |
C22H22ClN5O2
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| Molecular Weight |
423.904
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| Canonical SMILES |
CC(Oc1ccc(Cl)c(c1)-c1nnc2c(C)nc3cccnc3n12)C1CCOCC1
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| InChI |
InChI=1S/C22H22ClN5O2/c1-13-20-26-27-21(28(20)22-19(25-13)4-3-9-24-22)17-12-16(5-6-18(17)23)30-14(2)15-7-10-29-11-8-15/h3-6,9,12,14-15H,7-8,10-11H2,1-2H3
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| InChIKey |
VWFNAIFRRIYIIT-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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase