General Information of the Compound
| Compound ID |
CP0496579
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| Compound Name |
1-[3-[[3-(benzenesulfonamido)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-3-propan-2-ylurea
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| Structure |
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| Formula |
C27H30N4O4S
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| Molecular Weight |
506.628
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| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NS(=O)(=O)c3ccccc3)C2=O)c1
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| InChI |
InChI=1S/C27H30N4O4S/c1-19(2)28-27(33)29-22-11-8-9-20(17-22)18-31-25-14-7-6-10-21(25)15-16-24(26(31)32)30-36(34,35)23-12-4-3-5-13-23/h3-14,17,19,24,30H,15-16,18H2,1-2H3,(H2,28,29,33)
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| InChIKey |
OXOKLHYYXDZNOV-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