General Information of the Compound
| Compound ID |
CP0481156
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| Compound Name |
US9085584, 39
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| Structure |
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| Formula |
C21H20ClN5O2
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| Molecular Weight |
409.877
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| Canonical SMILES |
Cc1nc2cccnc2n2c(nnc12)-c1cc(OC2CCC(O)CC2)ccc1Cl
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| InChI |
InChI=1S/C21H20ClN5O2/c1-12-19-25-26-20(27(19)21-18(24-12)3-2-10-23-21)16-11-15(8-9-17(16)22)29-14-6-4-13(28)5-7-14/h2-3,8-11,13-14,28H,4-7H2,1H3
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| InChIKey |
XJIQUWOTLMMHGR-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