General Information of the Compound
| Compound ID |
CP0549310
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| Compound Name |
1-ethyl-4,4-dimethyl-7-(2-methyloctan-2-yl)-9-phenylmethoxychromeno[4,3-c]pyrazole
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| Structure |
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| Formula |
C30H40N2O2
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| Molecular Weight |
460.662
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2-c3c(cnn3CC)C(C)(C)Oc2c1
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| InChI |
InChI=1S/C30H40N2O2/c1-7-9-10-14-17-29(3,4)23-18-25(33-21-22-15-12-11-13-16-22)27-26(19-23)34-30(5,6)24-20-31-32(8-2)28(24)27/h11-13,15-16,18-20H,7-10,14,17,21H2,1-6H3
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| InChIKey |
VZRONIOXKUYNGW-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