General Information of the Compound
| Compound ID |
CP0055255
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| Compound Name |
[(7S,8R,9S,13S,14S,17S)-7-(4-bromophenyl)sulfanyl-3-hydroxy-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] acetate
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| Structure |
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| Formula |
C26H27BrO4S
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| Molecular Weight |
515.469
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| Canonical SMILES |
CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)c1ccc(O)cc1C(=O)[C@H]3Sc1ccc(Br)cc1
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| InChI |
InChI=1S/C26H27BrO4S/c1-14(28)31-22-10-9-21-23-19(11-12-26(21,22)2)18-8-5-16(29)13-20(18)24(30)25(23)32-17-6-3-15(27)4-7-17/h3-8,13,19,21-23,25,29H,9-12H2,1-2H3/t19-,21+,22+,23-,25+,26+/m1/s1
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| InChIKey |
QAPGBIHBDTUCKP-BUDVVTLDSA-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