General Information of the Compound
| Compound ID |
CP0470047
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| Compound Name |
US9085584, 77
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| Structure |
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| Formula |
C21H22ClN5O
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| Molecular Weight |
395.894
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| Canonical SMILES |
CC(C)c1ccc2nc(C)c3nnc(-c4cc(ccc4Cl)C(C)(C)O)n3c2n1
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| InChI |
InChI=1S/C21H22ClN5O/c1-11(2)16-8-9-17-20(24-16)27-18(12(3)23-17)25-26-19(27)14-10-13(21(4,5)28)6-7-15(14)22/h6-11,28H,1-5H3
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| InChIKey |
XROKVLLQZMRENC-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