General Information of the Compound
| Compound ID |
CP0447426
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| Compound Name |
5-benzyl-N-[(3S)-7-(methanesulfonamido)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C22H22N4O6S
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| Molecular Weight |
470.507
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| Canonical SMILES |
CN1c2cc(NS(C)(=O)=O)ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O
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| InChI |
InChI=1S/C22H22N4O6S/c1-26-19-11-15(25-33(2,29)30)8-9-20(19)31-13-18(22(26)28)23-21(27)17-12-16(32-24-17)10-14-6-4-3-5-7-14/h3-9,11-12,18,25H,10,13H2,1-2H3,(H,23,27)/t18-/m0/s1
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| InChIKey |
PIWMULXWWGHQRV-SFHVURJKSA-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