General Information of the Compound
| Compound ID |
CP0382560
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| Compound Name |
US9085584, 73
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| Structure |
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| Formula |
C20H19N5O
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| Molecular Weight |
345.406
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| Canonical SMILES |
Cc1ccc(cc1-c1nnc2c(C)nc3cccnc3n12)C1(O)CCC1
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| InChI |
InChI=1S/C20H19N5O/c1-12-6-7-14(20(26)8-4-9-20)11-15(12)18-24-23-17-13(2)22-16-5-3-10-21-19(16)25(17)18/h3,5-7,10-11,26H,4,8-9H2,1-2H3
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| InChIKey |
WMTDOZSGWSCSLR-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