General Information of the Compound
| Compound ID |
CP0546676
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| Compound Name |
US9085584, 96a
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| Structure |
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| Formula |
C21H17F4N5O2
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| Molecular Weight |
447.392
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| Canonical SMILES |
Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1F)C1(O)CCOCC1)C(F)(F)F
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| InChI |
InChI=1S/C21H17F4N5O2/c1-11-17-28-29-18(30(17)19-15(26-11)4-5-16(27-19)21(23,24)25)13-10-12(2-3-14(13)22)20(31)6-8-32-9-7-20/h2-5,10,31H,6-9H2,1H3
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| InChIKey |
FDLZHEQILHYKJT-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