General Information of the Compound
| Compound ID |
CP0080875
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| Compound Name |
(1S,4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid (adamantan-1-ylmethyl)-amide
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| Structure |
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| Formula |
C28H39NO2
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| Molecular Weight |
421.625
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| Canonical SMILES |
C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NCC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C28H39NO2/c1-26-8-3-9-27(2,24(26)7-5-21-4-6-22(30)13-23(21)26)25(31)29-17-28-14-18-10-19(15-28)12-20(11-18)16-28/h4,6,13,18-20,24,30H,3,5,7-12,14-17H2,1-2H3,(H,29,31)/t18?,19?,20?,24-,26-,27+,28?/m1/s1
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| InChIKey |
DHBIWVAWNUNKJG-WPKHNGPTSA-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