General Information of the Compound
| Compound ID |
CP0512592
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| Compound Name |
US9365558, 24
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| Structure |
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| Formula |
C20H28N2O4S
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| Molecular Weight |
392.521
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| Canonical SMILES |
CC(C)CC[C@]1(C)CC(=C(C(=O)NS(C)(=O)=O)C(=O)N1)c1ccc(C)cc1
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| InChI |
InChI=1S/C20H28N2O4S/c1-13(2)10-11-20(4)12-16(15-8-6-14(3)7-9-15)17(18(23)21-20)19(24)22-27(5,25)26/h6-9,13H,10-12H2,1-5H3,(H,21,23)(H,22,24)/t20-/m1/s1
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| InChIKey |
BRDOTSZAPWKSOP-HXUWFJFHSA-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