General Information of the Compound
| Compound ID |
CP0381477
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| Compound Name |
US9085584, 44
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| Structure |
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| Formula |
C19H18ClN5O2
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| Molecular Weight |
383.839
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| Canonical SMILES |
Cc1nc2cccnc2n2c(nnc12)-c1cc(OCC(C)(C)O)ccc1Cl
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| InChI |
InChI=1S/C19H18ClN5O2/c1-11-16-23-24-17(25(16)18-15(22-11)5-4-8-21-18)13-9-12(6-7-14(13)20)27-10-19(2,3)26/h4-9,26H,10H2,1-3H3
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| InChIKey |
PFVDKPRZAPMJPU-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