General Information of the Compound
| Compound ID |
CP0434517
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| Compound Name |
1-(3,4-dichlorophenyl)-9-ethoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole
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| Structure |
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| Formula |
C29H36Cl2N2O2
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| Molecular Weight |
515.525
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(OCC)c2-c3c(cnn3-c3ccc(Cl)c(Cl)c3)C(C)(C)Oc2c1
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| InChI |
InChI=1S/C29H36Cl2N2O2/c1-7-9-10-11-14-28(3,4)19-15-24(34-8-2)26-25(16-19)35-29(5,6)21-18-32-33(27(21)26)20-12-13-22(30)23(31)17-20/h12-13,15-18H,7-11,14H2,1-6H3
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| InChIKey |
DGAJYOOBTBCXDC-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2