General Information of the Compound
| Compound ID |
CP0459013
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| Compound Name |
US9085584, 81
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| Structure |
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| Formula |
C23H25N5O
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| Molecular Weight |
387.487
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| Canonical SMILES |
Cc1ccc(CC(C)(C)O)cc1-c1nnc2c(C)nc3ccc(nc3n12)C1CC1
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| InChI |
InChI=1S/C23H25N5O/c1-13-5-6-15(12-23(3,4)29)11-17(13)21-27-26-20-14(2)24-19-10-9-18(16-7-8-16)25-22(19)28(20)21/h5-6,9-11,16,29H,7-8,12H2,1-4H3
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| InChIKey |
XKWIFWAWLJUAAA-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