General Information of the Compound
| Compound ID |
CP0519326
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| Compound Name |
[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-acetyloxy-17-(2-hydroxyacetyl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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| Structure |
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| Formula |
C28H44O6
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| Molecular Weight |
476.654
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| Canonical SMILES |
CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@@H]([C@@H]12)C(=O)CO
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| InChI |
InChI=1S/C28H44O6/c1-16(30)33-20-14-22-26(5)11-10-23(34-17(2)31)25(3,4)21(26)9-13-27(22,6)28(7)12-8-18(24(20)28)19(32)15-29/h18,20-24,29H,8-15H2,1-7H3/t18-,20-,21+,22-,23+,24+,26+,27-,28-/m1/s1
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| InChIKey |
JEMGOJBTQIXYDM-PZFMVRPFSA-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