General Information of the Compound
| Compound ID |
CP0402379
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| Compound Name |
(6aR,9S,10aR)-6,6-Dimethyl-3-(2-oxa-6-aza-tricyclo[3.3.1.1*3,7*]dec-6-ylmethyl)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromene-1,9-diol
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| Structure |
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| Formula |
C24H33NO4
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| Molecular Weight |
399.531
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| Canonical SMILES |
CC1(C)Oc2cc(CN3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@@H](O)CC[C@@H]12
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| InChI |
InChI=1S/C24H33NO4/c1-24(2)20-4-3-16(26)11-19(20)23-21(27)5-13(6-22(23)29-24)12-25-14-7-17-9-15(25)10-18(8-14)28-17/h5-6,14-20,26-27H,3-4,7-12H2,1-2H3/t14?,15?,16-,17?,18?,19+,20+/m0/s1
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| InChIKey |
KELDZFKBKQRPFY-NTRNGXRESA-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: PT00834, Cannabinoid receptor 2
Protein ID: PT01998, Cannabinoid receptor 2