General Information of the Compound
| Compound ID |
CP0958025
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| Compound Name |
(4R,4aR,5R,11bS)-1,2,3,4,4a,5,6,11b-octahydro-4-(hydroxymethyl)-4,11b-dimethylphenanthro[3,2-b]furan-5-ol
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| Structure |
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| Formula |
C19H24O3
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| Molecular Weight |
300.398
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| Canonical SMILES |
C[C@@]1(CO)CCC[C@]2(C)c3cc4occc4cc3C[C@@H](O)[C@@H]12
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| InChI |
InChI=1S/C19H24O3/c1-18(11-20)5-3-6-19(2)14-10-16-12(4-7-22-16)8-13(14)9-15(21)17(18)19/h4,7-8,10,15,17,20-21H,3,5-6,9,11H2,1-2H3/t15-,17+,18+,19-/m1/s1
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| InChIKey |
UBYKTQJMFFOZCV-XGXHKWSGSA-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