General Information of the Compound
| Compound ID |
CP0456767
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| Compound Name |
US9085584, 54
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| Structure |
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| Formula |
C22H24ClN5O2
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| Molecular Weight |
425.92
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| Canonical SMILES |
CC(C)c1cnc2c(c1)nc(C)c1nnc(-c3cc(OCC(C)(C)O)ccc3Cl)n21
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| InChI |
InChI=1S/C22H24ClN5O2/c1-12(2)14-8-18-21(24-10-14)28-19(13(3)25-18)26-27-20(28)16-9-15(6-7-17(16)23)30-11-22(4,5)29/h6-10,12,29H,11H2,1-5H3
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| InChIKey |
BJUKJODXDRHWBI-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