General Information of the Compound
| Compound ID |
CP0517830
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| Compound Name |
3-imidazol-1-ylpropyl 2-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl]-2-methylpropanoate
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| Structure |
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| Formula |
C26H34N2O4
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| Molecular Weight |
438.568
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| Canonical SMILES |
CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(cc1OC2(C)C)C(C)(C)C(=O)OCCCn1ccnc1
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| InChI |
InChI=1S/C26H34N2O4/c1-17-7-8-20-19(13-17)23-21(29)14-18(15-22(23)32-26(20,4)5)25(2,3)24(30)31-12-6-10-28-11-9-27-16-28/h7,9,11,14-16,19-20,29H,6,8,10,12-13H2,1-5H3/t19-,20-/m1/s1
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| InChIKey |
WJRVVIKOSPKUCK-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: PT00834, Cannabinoid receptor 2
Protein ID: PT01998, Cannabinoid receptor 2