General Information of the Compound
| Compound ID |
CP0492000
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| Compound Name |
17-octyl-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 |
C26H29NO2
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| Molecular Weight |
387.523
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| Canonical SMILES |
CCCCCCCCN1C(=O)C2C(C3c4ccccc4C2c2ccccc32)C1=O
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| InChI |
InChI=1S/C26H29NO2/c1-2-3-4-5-6-11-16-27-25(28)23-21-17-12-7-8-13-18(17)22(24(23)26(27)29)20-15-10-9-14-19(20)21/h7-10,12-15,21-24H,2-6,11,16H2,1H3
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| InChIKey |
MKWUSACFWOLBRC-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