General Information of the Compound
| Compound ID |
CP0385434
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| Compound Name |
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C30H33NO4S2
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| Molecular Weight |
535.731
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| Canonical SMILES |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CSc1nc(cs1)-c1ccccc1
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| InChI |
InChI=1S/C30H33NO4S2/c1-28-12-10-20(32)14-19(28)8-9-21-22-11-13-30(35,29(22,2)15-24(33)26(21)28)25(34)17-37-27-31-23(16-36-27)18-6-4-3-5-7-18/h3-7,10,12,14,16,21-22,24,26,33,35H,8-9,11,13,15,17H2,1-2H3/t21-,22-,24-,26+,28-,29-,30-/m0/s1
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| InChIKey |
KXKXLCBHJMUCJG-LQAYLUTCSA-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