General Information of the Compound
| Compound ID |
CP0477157
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| Compound Name |
1-bromo-17-heptyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
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| Structure |
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| Formula |
C25H26BrNO2
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| Molecular Weight |
452.392
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| Canonical SMILES |
CCCCCCCN1C(=O)C2C(C1=O)C1(Br)c3ccccc3C2c2ccccc12
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| InChI |
InChI=1S/C25H26BrNO2/c1-2-3-4-5-10-15-27-23(28)21-20-16-11-6-8-13-18(16)25(26,22(21)24(27)29)19-14-9-7-12-17(19)20/h6-9,11-14,20-22H,2-5,10,15H2,1H3
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| InChIKey |
KJFYKBCYSRGUJE-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