General Information of the Compound
| Compound ID |
CP0458226
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| Compound Name |
(6aS,10aS)-6,6,9-trimethyl-3-[(E)-C-methyl-N-(2-piperidin-1-ylethoxy)carbonimidoyl]-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
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| Structure |
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| Formula |
C25H36N2O3
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| Molecular Weight |
412.574
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| Canonical SMILES |
C\C(=N/OCCN1CCCCC1)c1cc(O)c2[C@H]3CC(C)=CC[C@@H]3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C25H36N2O3/c1-17-8-9-21-20(14-17)24-22(28)15-19(16-23(24)30-25(21,3)4)18(2)26-29-13-12-27-10-6-5-7-11-27/h8,15-16,20-21,28H,5-7,9-14H2,1-4H3/b26-18+/t20-,21-/m0/s1
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| InChIKey |
KXRWVKNKTDEQLK-SRECOIMGSA-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