General Information of the Compound
| Compound ID |
CP0527414
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| Compound Name |
US9085584, 100
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| Structure |
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| Formula |
C22H23N5O2
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| Molecular Weight |
389.459
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| Canonical SMILES |
Cc1ccc(cc1-c1nnc2c(C)nc3ccc(nc3n12)C1CC1)C(C)(O)CO
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| InChI |
InChI=1S/C22H23N5O2/c1-12-4-7-15(22(3,29)11-28)10-16(12)20-26-25-19-13(2)23-18-9-8-17(14-5-6-14)24-21(18)27(19)20/h4,7-10,14,28-29H,5-6,11H2,1-3H3
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| InChIKey |
DVLAFODZVUERBN-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