General Information of the Compound
| Compound ID |
CP0436132
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| Compound Name |
4-chloro-17-heptyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaene-16,18-dione
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| Structure |
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| Formula |
C25H26ClNO2
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| Molecular Weight |
407.941
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| Canonical SMILES |
CCCCCCCN1C(=O)C2C(C3c4ccccc4C2c2ccc(Cl)cc32)C1=O
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| InChI |
InChI=1S/C25H26ClNO2/c1-2-3-4-5-8-13-27-24(28)22-20-16-9-6-7-10-17(16)21(23(22)25(27)29)19-14-15(26)11-12-18(19)20/h6-7,9-12,14,20-23H,2-5,8,13H2,1H3
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| InChIKey |
GFRHFFLFCWZVNO-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