General Information of the Compound
| Compound ID |
CP0536124
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| Compound Name |
4-imidazol-1-ylbutyl 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 |
C27H36N2O4
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| Molecular Weight |
452.595
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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)OCCCCn1ccnc1
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| InChI |
InChI=1S/C27H36N2O4/c1-18-8-9-21-20(14-18)24-22(30)15-19(16-23(24)33-27(21,4)5)26(2,3)25(31)32-13-7-6-11-29-12-10-28-17-29/h8,10,12,15-17,20-21,30H,6-7,9,11,13-14H2,1-5H3/t20-,21-/m1/s1
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| InChIKey |
UALDUWDMSJRDJS-NHCUHLMSSA-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