General Information of the Compound
| Compound ID |
CP0856551
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| Compound Name |
(3aS,3bS,5aS,8aS,8bR,10aS)-6-(1H-imidazol-1-yl)-3a,5a-dimethyl-1,2,3,3a,3b,4,5,5a,8,8a,8b,9,10,10a-tetradecahydrodicyclopenta[a,f]naphthalen-2-ol
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| Structure |
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| Formula |
C21H30N2O
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| Molecular Weight |
326.484
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| Canonical SMILES |
C[C@]12CC(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3ccnc3)=CC[C@@H]12
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| InChI |
InChI=1S/C21H30N2O/c1-20-8-7-18-16(4-3-14-11-15(24)12-21(14,18)2)17(20)5-6-19(20)23-10-9-22-13-23/h6,9-10,13-18,24H,3-5,7-8,11-12H2,1-2H3/t14-,15?,16-,17-,18-,20-,21-/m0/s1
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| InChIKey |
XYNQXASHVSDJLI-RSLCYEFESA-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