General Information of the Compound
| Compound ID |
CP0556764
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| Compound Name |
1-(2,4-dichlorophenyl)-4,4-dimethyl-7-(2-methyloctan-2-yl)-9-phenylmethoxychromeno[4,3-c]pyrazole
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| Structure |
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| Formula |
C34H38Cl2N2O2
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| Molecular Weight |
577.596
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2-c3c(cnn3-c3ccc(Cl)cc3Cl)C(C)(C)Oc2c1
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| InChI |
InChI=1S/C34H38Cl2N2O2/c1-6-7-8-12-17-33(2,3)24-18-29(39-22-23-13-10-9-11-14-23)31-30(19-24)40-34(4,5)26-21-37-38(32(26)31)28-16-15-25(35)20-27(28)36/h9-11,13-16,18-21H,6-8,12,17,22H2,1-5H3
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| InChIKey |
PGKYEQZIXWHHOL-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