General Information of the Compound
| Compound ID |
CP0472454
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| Compound Name |
US9085584, 31
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| Structure |
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| Formula |
C20H20ClN5O2
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| Molecular Weight |
397.866
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| Canonical SMILES |
COCCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(C)nc3n12
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| InChI |
InChI=1S/C20H20ClN5O2/c1-12-5-8-17-20(22-12)26-18(13(2)23-17)24-25-19(26)15-11-14(6-7-16(15)21)28-10-4-9-27-3/h5-8,11H,4,9-10H2,1-3H3
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| InChIKey |
XXOXYYIHSNWLAR-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