General Information of the Compound
| Compound ID |
CP0421306
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| Compound Name |
4,4-dimethyl-7-(2-methyloctan-2-yl)-9-phenylmethoxy-1H-chromeno[4,3-c]pyrazole
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| Structure |
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| Formula |
C28H36N2O2
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| Molecular Weight |
432.608
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2-c3[nH]ncc3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C28H36N2O2/c1-6-7-8-12-15-27(2,3)21-16-23(31-19-20-13-10-9-11-14-20)25-24(17-21)32-28(4,5)22-18-29-30-26(22)25/h9-11,13-14,16-18H,6-8,12,15,19H2,1-5H3,(H,29,30)
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| InChIKey |
KWYDNXITTWSHTQ-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