General Information of the Compound
| Compound ID |
CP0947552
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| Compound Name |
S-Propyl-2-[(6aR,10aR)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl]-2-methylpropanethioate
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| Structure |
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| Formula |
C23H32O3S
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| Molecular Weight |
388.573
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| Canonical SMILES |
CCCSC(=O)C(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21
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| InChI |
InChI=1S/C23H32O3S/c1-7-10-27-21(25)22(3,4)15-12-18(24)20-16-11-14(2)8-9-17(16)23(5,6)26-19(20)13-15/h8,12-13,16-17,24H,7,9-11H2,1-6H3/t16-,17-/m1/s1
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| InChIKey |
ABXYYILULHRPPW-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