General Information of the Compound
| Compound ID |
CP0488088
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| Compound Name |
3-[2-chloro-5-(2-methoxyethoxy)phenyl]-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 |
C18H16ClN5O2
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| Molecular Weight |
369.812
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| Canonical SMILES |
COCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccncc3n12
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| InChI |
InChI=1S/C18H16ClN5O2/c1-11-17-22-23-18(24(17)16-10-20-6-5-15(16)21-11)13-9-12(3-4-14(13)19)26-8-7-25-2/h3-6,9-10H,7-8H2,1-2H3
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| InChIKey |
GKLYIDCVESZPKM-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