General Information of the Compound
| Compound ID |
CP0412276
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| Compound Name |
US9085584, 29
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| Structure |
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| Formula |
C19H18ClN5O2
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| Molecular Weight |
383.839
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| Canonical SMILES |
COCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(C)nc3n12
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| InChI |
InChI=1S/C19H18ClN5O2/c1-11-4-7-16-19(21-11)25-17(12(2)22-16)23-24-18(25)14-10-13(5-6-15(14)20)27-9-8-26-3/h4-7,10H,8-9H2,1-3H3
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| InChIKey |
YTXVHBVKSXOZAK-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