General Information of the Compound
| Compound ID |
CP0314892
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| Compound Name |
(8S,9S,10R,11S,13S,14S,17R)-17-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C26H35NO4S2
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| Molecular Weight |
489.703
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| Canonical SMILES |
Cc1nc(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)sc1C
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| InChI |
InChI=1S/C26H35NO4S2/c1-14-15(2)33-23(27-14)32-13-21(30)26(31)10-8-19-18-6-5-16-11-17(28)7-9-24(16,3)22(18)20(29)12-25(19,26)4/h11,18-20,22,29,31H,5-10,12-13H2,1-4H3/t18-,19-,20-,22+,24-,25-,26-/m0/s1
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| InChIKey |
OWZZHTDHOMLCGR-OKKNSTDLSA-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