General Information of the Compound
| Compound ID |
CP0448309
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| Compound Name |
3-[2-chloro-5-(propoxymethyl)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 |
C19H18ClN5O
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| Molecular Weight |
367.84
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| Canonical SMILES |
CCCOCc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccncc3n12
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| InChI |
InChI=1S/C19H18ClN5O/c1-3-8-26-11-13-4-5-15(20)14(9-13)19-24-23-18-12(2)22-16-6-7-21-10-17(16)25(18)19/h4-7,9-10H,3,8,11H2,1-2H3
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| InChIKey |
RZXLNOORMKRAIY-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