General Information of the Compound
| Compound ID |
CP0481502
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| Compound Name |
US9085584, 110d
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| Structure |
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| Formula |
C21H17F4N5O3
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| Molecular Weight |
463.391
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| Canonical SMILES |
Cc1nc2ccc(nc2n2c(nnc12)-c1cc(OC2CCOCC2O)ccc1F)C(F)(F)F
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| InChI |
InChI=1S/C21H17F4N5O3/c1-10-18-28-29-19(30(18)20-14(26-10)4-5-17(27-20)21(23,24)25)12-8-11(2-3-13(12)22)33-16-6-7-32-9-15(16)31/h2-5,8,15-16,31H,6-7,9H2,1H3
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| InChIKey |
CGVKAVIVXCNQGT-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