General Information of the Compound
| Compound ID |
CP0402381
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| Compound Name |
(6aR,9R,10aR)-3-(Adamantan-1-ylaminomethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromene-1,9-diol
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| Structure |
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| Formula |
C26H37NO3
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| Molecular Weight |
411.586
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| Canonical SMILES |
CC1(C)Oc2cc(CNC34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@@H]12
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| InChI |
InChI=1S/C26H37NO3/c1-25(2)21-4-3-19(28)10-20(21)24-22(29)8-18(9-23(24)30-25)14-27-26-11-15-5-16(12-26)7-17(6-15)13-26/h8-9,15-17,19-21,27-29H,3-7,10-14H2,1-2H3/t15?,16?,17?,19-,20-,21-,26?/m1/s1
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| InChIKey |
MZBYKKJKLXYZDG-SMEFVZHTSA-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