General Information of the Compound
| Compound ID |
CP0416764
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| Compound Name |
(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-3-(sulfamoylamino)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
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| Structure |
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| Formula |
C19H32N2O3S
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| Molecular Weight |
368.543
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)NS(N)(=O)=O)[C@@H]1CCC2=O
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| InChI |
InChI=1S/C19H32N2O3S/c1-18-9-7-13(21-25(20,23)24)11-12(18)3-4-14-15-5-6-17(22)19(15,2)10-8-16(14)18/h12-16,21H,3-11H2,1-2H3,(H2,20,23,24)/t12-,13-,14-,15-,16-,18-,19-/m0/s1
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| InChIKey |
QLIJDTTVUNSTPX-LUJOEAJASA-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