General Information of the Compound
| Compound ID |
CP0509567
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| Compound Name |
(6aR,9R,10aR)-1,9-Dihydroxy-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromene-3-carboxylic acid adamantan-2-ylamide
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| Structure |
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| Formula |
C26H35NO4
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| Molecular Weight |
425.569
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| Canonical SMILES |
CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@H](O)CC[C@@H]12)C(=O)NC1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C26H35NO4/c1-26(2)20-4-3-18(28)12-19(20)23-21(29)10-17(11-22(23)31-26)25(30)27-24-15-6-13-5-14(8-15)9-16(24)7-13/h10-11,13-16,18-20,24,28-29H,3-9,12H2,1-2H3,(H,27,30)/t13?,14?,15?,16?,18-,19-,20-,24?/m1/s1
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| InChIKey |
NDQQQISPNMHNTA-UPRFESCSSA-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