General Information of the Compound
| Compound ID |
CP0436130
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| Compound Name |
17-heptyl-1-[(heptylamino)methyl]-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 |
C33H44N2O2
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| Molecular Weight |
500.727
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| Canonical SMILES |
CCCCCCCNCC12C3C(C(c4ccccc14)c1ccccc21)C(=O)N(CCCCCCC)C3=O
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| InChI |
InChI=1S/C33H44N2O2/c1-3-5-7-9-15-21-34-23-33-26-19-13-11-17-24(26)28(25-18-12-14-20-27(25)33)29-30(33)32(37)35(31(29)36)22-16-10-8-6-4-2/h11-14,17-20,28-30,34H,3-10,15-16,21-23H2,1-2H3
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| InChIKey |
JGANZSFJTHWDTD-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