General Information of the Compound
| Compound ID |
CP0910830
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| Compound Name |
(4R,4aR,5R,11bS)-methyl 5-acetoxy-4,11b-dimethyl-1,2,3,4,4a,5,6,11b-octahydrophenanthro[3,2-b]furan-4-carboxylate
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| Structure |
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| Formula |
C22H26O5
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| Molecular Weight |
370.445
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| Canonical SMILES |
COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4cc3C[C@@H](OC(C)=O)[C@@H]12
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| InChI |
InChI=1S/C22H26O5/c1-13(23)27-18-11-15-10-14-6-9-26-17(14)12-16(15)21(2)7-5-8-22(3,19(18)21)20(24)25-4/h6,9-10,12,18-19H,5,7-8,11H2,1-4H3/t18-,19-,21-,22-/m1/s1
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| InChIKey |
NJFIIHKWGIDUPZ-UGESXGAOSA-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