General Information of the Compound
| Compound ID |
CP0457645
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| Compound Name |
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5R,6R)-5,6-dihydroxy-4-methoxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
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| Structure |
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| Formula |
C29H44O8
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| Molecular Weight |
520.663
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| Canonical SMILES |
CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)O[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C29H44O8/c1-27-9-6-18(36-24-14-22(34-3)25(31)26(32)37-24)13-17(27)4-5-21-20(27)7-10-28(2)19(8-11-29(21,28)33)16-12-23(30)35-15-16/h12,17-22,24-26,31-33H,4-11,13-15H2,1-3H3/t17-,18+,19-,20+,21-,22+,24-,25-,26-,27+,28-,29+/m1/s1
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| InChIKey |
WYEQRNLCWWZJJT-UDZBTMSNSA-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