General Information of the Compound
| Compound ID |
CP0548374
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| Compound Name |
(6aS,10aS)-3-[(E)-N-(3-imidazol-1-ylpropoxy)-C-methylcarbonimidoyl]-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
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| Structure |
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| Formula |
C24H31N3O3
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| Molecular Weight |
409.53
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| Canonical SMILES |
C\C(=N/OCCCn1ccnc1)c1cc(O)c2[C@H]3CC(C)=CC[C@@H]3C(C)(C)Oc2c1
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| InChI |
InChI=1S/C24H31N3O3/c1-16-6-7-20-19(12-16)23-21(28)13-18(14-22(23)30-24(20,3)4)17(2)26-29-11-5-9-27-10-8-25-15-27/h6,8,10,13-15,19-20,28H,5,7,9,11-12H2,1-4H3/b26-17+/t19-,20-/m0/s1
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| InChIKey |
QKBXWWXISNKLHG-VFLCRGENSA-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: PT01998, Cannabinoid receptor 2
Protein ID: PT00834, Cannabinoid receptor 2