General Information of the Compound
| Compound ID |
CP0459033
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| Compound Name |
US9085584, 32
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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 |
Cc1ccc2nc(C)c3nnc(-c4cc(OC5CCOCC5)ccc4Cl)n3c2n1
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| InChI |
InChI=1S/C21H20ClN5O2/c1-12-3-6-18-21(23-12)27-19(13(2)24-18)25-26-20(27)16-11-15(4-5-17(16)22)29-14-7-9-28-10-8-14/h3-6,11,14H,7-10H2,1-2H3
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| InChIKey |
SZDKYLLVLPNRMF-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