General Information of the Compound
| Compound ID |
CP0411935
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| Compound Name |
US9085584, 63
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| Structure |
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| Formula |
C18H16ClN5O
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| Molecular Weight |
353.813
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| Canonical SMILES |
CC(O)c1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(C)nc3n12
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| InChI |
InChI=1S/C18H16ClN5O/c1-9-4-7-15-18(20-9)24-16(10(2)21-15)22-23-17(24)13-8-12(11(3)25)5-6-14(13)19/h4-8,11,25H,1-3H3
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| InChIKey |
PIORYLQQPPKALN-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