General Information of the Compound
| Compound ID |
CP0428737
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| Compound Name |
CHEMBL3416126
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| Formula |
C27H35NO3
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| Molecular Weight |
421.581
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| Canonical SMILES |
CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@H](O)CC[C@@H]12)[C@]12CC3CC(C[C@@](CC#N)(C3)C1)C2
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| InChI |
InChI=1S/C27H35NO3/c1-25(2)21-4-3-19(29)10-20(21)24-22(30)8-18(9-23(24)31-25)27-13-16-7-17(14-27)12-26(11-16,15-27)5-6-28/h8-9,16-17,19-21,29-30H,3-5,7,10-15H2,1-2H3/t16?,17?,19-,20-,21-,26-,27+/m1/s1
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| InChIKey |
GLVPPVKRJRPLAK-IWNUDGPCSA-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: PT02190, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT01998, Cannabinoid receptor 2