General Information of the Compound
| Compound ID |
CP0551410
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| Compound Name |
N-[2-oxo-1-[[3-(propan-2-ylcarbamoylamino)phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]benzamide
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| Structure |
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| Formula |
C28H30N4O3
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| Molecular Weight |
470.573
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| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)c3ccccc3)C2=O)c1
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| InChI |
InChI=1S/C28H30N4O3/c1-19(2)29-28(35)30-23-13-8-9-20(17-23)18-32-25-14-7-6-10-21(25)15-16-24(27(32)34)31-26(33)22-11-4-3-5-12-22/h3-14,17,19,24H,15-16,18H2,1-2H3,(H,31,33)(H2,29,30,35)
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| InChIKey |
OBWVKNHXJZRSTK-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