General Information of the Compound
| Compound ID |
CP0550845
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| Compound Name |
US9085584, 87
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| Structure |
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| Formula |
C19H16ClN5O
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| Molecular Weight |
365.824
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| Canonical SMILES |
Cc1nc2cccnc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCC1
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| InChI |
InChI=1S/C19H16ClN5O/c1-11-16-23-24-17(25(16)18-15(22-11)4-2-9-21-18)13-10-12(5-6-14(13)20)19(26)7-3-8-19/h2,4-6,9-10,26H,3,7-8H2,1H3
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| InChIKey |
JKLBRBNLOXEBJG-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