General Information of the Compound
| Compound ID |
CP0382548
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| Compound Name |
US9085584, 96b
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| Structure |
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| Formula |
C22H20F3N5O2
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| Molecular Weight |
443.429
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| Canonical SMILES |
Cc1ccc(cc1-c1nnc2c(C)nc3ccc(nc3n12)C(F)(F)F)C1(O)CCOCC1
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| InChI |
InChI=1S/C22H20F3N5O2/c1-12-3-4-14(21(31)7-9-32-10-8-21)11-15(12)19-29-28-18-13(2)26-16-5-6-17(22(23,24)25)27-20(16)30(18)19/h3-6,11,31H,7-10H2,1-2H3
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| InChIKey |
YFDZEEIYBLZELA-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