General Information of the Compound
| Compound ID |
CP0458227
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| Compound Name |
(6aS,10aS)-6,6,9-trimethyl-3-[(E)-C-methyl-N-(3-phenylpropoxy)carbonimidoyl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
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| Structure |
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| Formula |
C27H33NO3
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| Molecular Weight |
419.565
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| Canonical SMILES |
C\C(=N/OCCCc1ccccc1)c1cc(O)c2[C@H]3CC(C)=CC[C@@H]3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C27H33NO3/c1-18-12-13-23-22(15-18)26-24(29)16-21(17-25(26)31-27(23,3)4)19(2)28-30-14-8-11-20-9-6-5-7-10-20/h5-7,9-10,12,16-17,22-23,29H,8,11,13-15H2,1-4H3/b28-19+/t22-,23-/m0/s1
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| InChIKey |
DDDWBLNFJLSGSY-KOONVYFQSA-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: PT02190, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT01998, Cannabinoid receptor 2