General Information of the Compound
| Compound ID |
CP0423271
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| Compound Name |
US9428456, 1.351
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| Structure |
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| Formula |
C25H33N3O4S
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| Molecular Weight |
471.623
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(cc3)S(C)(=O)=O)c2)CC1
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| InChI |
InChI=1S/C25H33N3O4S/c1-25(2,3)27-24(30)20-12-14-28(15-13-20)17-18-6-5-7-21(16-18)26-23(29)19-8-10-22(11-9-19)33(4,31)32/h5-11,16,20H,12-15,17H2,1-4H3,(H,26,29)(H,27,30)
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| InChIKey |
RBOOMONZUSWYFU-UHFFFAOYSA-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