General Information of the Compound
| Compound ID |
CP0396419
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| Compound Name |
US9085584, 32a
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| Structure |
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| Formula |
C23H22ClN5O2
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| Molecular Weight |
435.915
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| Canonical SMILES |
Cc1nc2ccc(nc2n2c(nnc12)-c1cc(OC2CCOCC2)ccc1Cl)C1CC1
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| InChI |
InChI=1S/C23H22ClN5O2/c1-13-21-27-28-22(29(21)23-20(25-13)7-6-19(26-23)14-2-3-14)17-12-16(4-5-18(17)24)31-15-8-10-30-11-9-15/h4-7,12,14-15H,2-3,8-11H2,1H3
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| InChIKey |
SMENUBADTUWSQR-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