General Information of the Compound
Compound ID |
CP0479036
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Compound Name |
(6aR,9S,10aR)-3-(Adamantan-2-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(CNC3C4CC5CC(C4)CC3C5)cc(O)c2[C@@H]2C[C@@H](O)CC[C@@H]12
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InChI |
InChI=1S/C26H37NO3/c1-26(2)21-4-3-19(28)12-20(21)24-22(29)10-16(11-23(24)30-26)13-27-25-17-6-14-5-15(8-17)9-18(25)7-14/h10-11,14-15,17-21,25,27-29H,3-9,12-13H2,1-2H3/t14?,15?,17?,18?,19-,20+,21+,25?/m0/s1
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InChIKey |
RRWRCWRSJLFICX-PQFCWSIRSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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