General Information of the Compound
| Compound ID |
CP0059382
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| Compound Name |
(4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid adamantan-2-ylamide
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| Structure |
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| Formula |
C27H37NO2
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| Molecular Weight |
407.598
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| Canonical SMILES |
C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C27H37NO2/c1-26-8-3-9-27(2,23(26)7-5-18-4-6-21(29)15-22(18)26)25(30)28-24-19-11-16-10-17(13-19)14-20(24)12-16/h4,6,15-17,19-20,23-24,29H,3,5,7-14H2,1-2H3,(H,28,30)/t16?,17?,19?,20?,23-,24?,26-,27+/m1/s1
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| InChIKey |
GBNHOQWDXVLAFY-SRYDNDORSA-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