General Information of the Compound
| Compound ID |
CP0488110
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| Compound Name |
(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-(sulfamoylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
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| Structure |
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| Formula |
C21H36N2O3S
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| Molecular Weight |
396.597
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| Canonical SMILES |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NS(N)(=O)=O
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| InChI |
InChI=1S/C21H36N2O3S/c1-13(24)17-6-7-18-16-5-4-14-12-15(23-27(22,25)26)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3,(H2,22,25,26)/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
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| InChIKey |
CNKDNBLUPNATQZ-FZCSVUEKSA-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