General Information of the Compound
| Compound ID |
CP0463186
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| Compound Name |
US9085584, 88
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| Structure |
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| Formula |
C22H20ClN5O
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| Molecular Weight |
405.889
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| Canonical SMILES |
Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCC1)C1CC1
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| InChI |
InChI=1S/C22H20ClN5O/c1-12-19-26-27-20(15-11-14(5-6-16(15)23)22(29)9-2-10-22)28(19)21-18(24-12)8-7-17(25-21)13-3-4-13/h5-8,11,13,29H,2-4,9-10H2,1H3
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| InChIKey |
QPOIPSGKGQTIEH-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