General Information of the Compound
| Compound ID |
CP0528246
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| Compound Name |
(R/S)-(2'R,8R,9S,13S,14S)-methyl 3-hydroxy-13-methyl-6'-oxo-3',4',5',6,6',7,8,9,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-pyran]-5'-carboxylate
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| Structure |
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| Formula |
C24H30O5
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| Molecular Weight |
398.499
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| Canonical SMILES |
COC(=O)C1CC[C@@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)OC1=O
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| InChI |
InChI=1S/C24H30O5/c1-23-10-7-17-16-6-4-15(25)13-14(16)3-5-18(17)20(23)9-12-24(23)11-8-19(21(26)28-2)22(27)29-24/h4,6,13,17-20,25H,3,5,7-12H2,1-2H3/t17-,18-,19?,20+,23+,24+/m1/s1
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| InChIKey |
LTDZSQRPECWURW-AEABNMGWSA-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