General Information of the Compound
| Compound ID |
CP0509566
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| Compound Name |
((6aR,9S,10aR)-1,9-Dihydroxy-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl)-(2-oxa-6-aza-tricyclo[3.3.1.1*3,7*]dec-6-yl)-methanone
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| Structure |
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| Formula |
C24H31NO5
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| Molecular Weight |
413.514
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| Canonical SMILES |
CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@@H](O)CC[C@@H]12)C(=O)N1C2CC3CC1CC(C2)O3
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| InChI |
InChI=1S/C24H31NO5/c1-24(2)19-4-3-15(26)11-18(19)22-20(27)5-12(6-21(22)30-24)23(28)25-13-7-16-9-14(25)10-17(8-13)29-16/h5-6,13-19,26-27H,3-4,7-11H2,1-2H3/t13?,14?,15-,16?,17?,18+,19+/m0/s1
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| InChIKey |
IALBTTKONUUVMI-NEGCCWJISA-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: PT01998, Cannabinoid receptor 2
Protein ID: PT00834, Cannabinoid receptor 2