General Information of the Compound
| Compound ID |
CP0869162
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| Compound Name |
(3aS,5aS)-3a,5a-dimethyl-6-(pyridin-3-yl)-1,2,3,3a,3b,4,5,5a,8,8a,8b,9,10,10a-tetradecahydrodicyclopenta[a,f]naphthlen-2-ol
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| Structure |
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| Formula |
C23H31NO
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| Molecular Weight |
337.507
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| Canonical SMILES |
C[C@]12CC(O)CC1CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12
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| InChI |
InChI=1S/C23H31NO/c1-22-10-9-21-18(6-5-16-12-17(25)13-23(16,21)2)20(22)8-7-19(22)15-4-3-11-24-14-15/h3-4,7,11,14,16-18,20-21,25H,5-6,8-10,12-13H2,1-2H3/t16?,17?,18-,20-,21-,22+,23-/m0/s1
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| InChIKey |
XZGMJHSOWUKXSJ-PVOMKSSASA-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