General Information of the Compound
| Compound ID |
CP0443585
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| Compound Name |
[(6aR,9R,10aR)-1,9-dihydroxy-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]-(1-methylindol-3-yl)methanone
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| Structure |
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| Formula |
C25H27NO4
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| Molecular Weight |
405.494
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| Canonical SMILES |
Cn1cc(C(=O)c2cc(O)c3[C@@H]4C[C@H](O)CC[C@H]4C(C)(C)Oc3c2)c2ccccc12
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| InChI |
InChI=1S/C25H27NO4/c1-25(2)19-9-8-15(27)12-17(19)23-21(28)10-14(11-22(23)30-25)24(29)18-13-26(3)20-7-5-4-6-16(18)20/h4-7,10-11,13,15,17,19,27-28H,8-9,12H2,1-3H3/t15-,17-,19-/m1/s1
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| InChIKey |
UGRFMKJROSINFZ-SZVBFZGTSA-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