General Information of the Compound
| Compound ID |
CP0534867
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| Compound Name |
1-[1-(3-Amino-benzyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl]-3-phenyl-urea
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| Structure |
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| Formula |
C24H24N4O2
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| Molecular Weight |
400.482
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| Canonical SMILES |
Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
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| InChI |
InChI=1S/C24H24N4O2/c25-19-9-6-7-17(15-19)16-28-22-12-5-4-8-18(22)13-14-21(23(28)29)27-24(30)26-20-10-2-1-3-11-20/h1-12,15,21H,13-14,16,25H2,(H2,26,27,30)
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| InChIKey |
HPUMWWWYDYLUHT-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