General Information of the Compound
| Compound ID |
CP0549308
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| Compound Name |
2,4,4-trimethyl-7-(2-methyloctan-2-yl)-9-phenylmethoxychromeno[4,3-c]pyrazole
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| Structure |
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| Formula |
C29H38N2O2
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| Molecular Weight |
446.635
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2-c3nn(C)cc3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C29H38N2O2/c1-7-8-9-13-16-28(2,3)22-17-24(32-20-21-14-11-10-12-15-21)26-25(18-22)33-29(4,5)23-19-31(6)30-27(23)26/h10-12,14-15,17-19H,7-9,13,16,20H2,1-6H3
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| InChIKey |
BUTYWZAJGFTVCJ-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