General Information of the Compound
| Compound ID |
CP0529927
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| Compound Name |
9-(3-bromopropoxy)-2-ethyl-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole
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| Structure |
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| Formula |
C26H39BrN2O2
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| Molecular Weight |
491.514
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(OCCCBr)c2-c3nn(CC)cc3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C26H39BrN2O2/c1-7-9-10-11-13-25(3,4)19-16-21(30-15-12-14-27)23-22(17-19)31-26(5,6)20-18-29(8-2)28-24(20)23/h16-18H,7-15H2,1-6H3
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| InChIKey |
KEXIMQDRLNKFBB-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