General Information of the Compound
| Compound ID |
CP0488103
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| Compound Name |
N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]methanesulfonamide
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| Structure |
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| Formula |
C22H37NO4S
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| Molecular Weight |
411.608
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)NS(C)(=O)=O)[C@@H]1CC[C@@H]2C(=O)CO
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| InChI |
InChI=1S/C22H37NO4S/c1-21-10-8-15(23-28(3,26)27)12-14(21)4-5-16-17-6-7-19(20(25)13-24)22(17,2)11-9-18(16)21/h14-19,23-24H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19+,21-,22-/m0/s1
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| InChIKey |
NYKVWUZHTBBSKW-QNEXQYMPSA-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