General Information of the Compound
| Compound ID |
CP0558670
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| Compound Name |
4-bromobutyl 2-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl]acetate
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| Structure |
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| Formula |
C22H29BrO4
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| Molecular Weight |
437.374
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| Canonical SMILES |
CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(CC(=O)OCCCCBr)cc1OC2(C)C
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| InChI |
InChI=1S/C22H29BrO4/c1-14-6-7-17-16(10-14)21-18(24)11-15(12-19(21)27-22(17,2)3)13-20(25)26-9-5-4-8-23/h6,11-12,16-17,24H,4-5,7-10,13H2,1-3H3/t16-,17-/m1/s1
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| InChIKey |
CDXTXOOFOAEXDG-IAGOWNOFSA-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