General Information of the Compound
| Compound ID |
CP0462825
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| Compound Name |
US9085584, 103
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| Structure |
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| Formula |
C24H25N5O2
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| Molecular Weight |
415.497
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| Canonical SMILES |
Cc1ccc(cc1-c1nnc2c(C)nc3ccc(nc3n12)C1CC1)C1(O)CCOCC1
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| InChI |
InChI=1S/C24H25N5O2/c1-14-3-6-17(24(30)9-11-31-12-10-24)13-18(14)22-28-27-21-15(2)25-20-8-7-19(16-4-5-16)26-23(20)29(21)22/h3,6-8,13,16,30H,4-5,9-12H2,1-2H3
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| InChIKey |
IMUWQOKSBPPDFX-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