General Information of the Compound
| Compound ID |
CP0414237
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| Compound Name |
3-(5-butoxypyridin-3-yl)-7-methyl-2,4,5,8,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
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| Structure |
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| Formula |
C18H18N6O
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| Molecular Weight |
334.383
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| Canonical SMILES |
CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccncc3n12
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| InChI |
InChI=1S/C18H18N6O/c1-3-4-7-25-14-8-13(9-20-10-14)18-23-22-17-12(2)21-15-5-6-19-11-16(15)24(17)18/h5-6,8-11H,3-4,7H2,1-2H3
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| InChIKey |
IDPOAJGPSIINOF-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: PT02512, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase