General Information of the Compound
| Compound ID |
CP0558921
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| Compound Name |
4-cyanobutyl 1-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl]cyclobutane-1-carboxylate
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| Structure |
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| Formula |
C26H33NO4
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| Molecular Weight |
423.553
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| Canonical SMILES |
CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C1(CCC1)C(=O)OCCCCC#N
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| InChI |
InChI=1S/C26H33NO4/c1-17-8-9-20-19(14-17)23-21(28)15-18(16-22(23)31-25(20,2)3)26(10-7-11-26)24(29)30-13-6-4-5-12-27/h8,15-16,19-20,28H,4-7,9-11,13-14H2,1-3H3/t19-,20-/m1/s1
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| InChIKey |
YEYOEESLXRHGDX-WOJBJXKFSA-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