General Information of the Compound
| Compound ID |
CP0385894
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| Compound Name |
US9085584, 18
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| Structure |
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| Formula |
C18H16ClN5O2
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| Molecular Weight |
369.812
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| Canonical SMILES |
C[C@H](O)COc1ccc(Cl)c(c1)-c1nnc2c(C)nc3cccnc3n12
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| InChI |
InChI=1S/C18H16ClN5O2/c1-10(25)9-26-12-5-6-14(19)13(8-12)17-23-22-16-11(2)21-15-4-3-7-20-18(15)24(16)17/h3-8,10,25H,9H2,1-2H3/t10-/m0/s1
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| InChIKey |
VOEFMCIEHPUNPS-JTQLQIEISA-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