General Information of the Compound
| Compound ID |
CP0558940
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| Compound Name |
[(8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-10,13-dimethyl-3-oxo-2,4,7,9,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate
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| Structure |
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| Formula |
C28H40O7
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| Molecular Weight |
488.621
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| Canonical SMILES |
CC(C)C(\C)=C\C(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCC(=O)CC3=CC[C@@]2(O)[C@@]2(O)CC[C@@](O)(C(C)=O)[C@@]12C
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| InChI |
InChI=1S/C28H40O7/c1-16(2)17(3)13-23(31)35-22-15-21-24(5)9-8-20(30)14-19(24)7-10-27(21,33)28(34)12-11-26(32,18(4)29)25(22,28)6/h7,13,16,21-22,32-34H,8-12,14-15H2,1-6H3/b17-13+/t21-,22-,24+,25-,26-,27+,28-/m1/s1
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| InChIKey |
VWQANMZHGAIBQQ-UGMNXZDISA-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