General Information of the Compound
| Compound ID |
CP0371736
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| Compound Name |
1-[2-Oxo-1-(3-ureido-benzyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl]-3-phenyl-urea
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| Structure |
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| Formula |
C25H25N5O3
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| Molecular Weight |
443.507
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| Canonical SMILES |
NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
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| InChI |
InChI=1S/C25H25N5O3/c26-24(32)27-20-11-6-7-17(15-20)16-30-22-12-5-4-8-18(22)13-14-21(23(30)31)29-25(33)28-19-9-2-1-3-10-19/h1-12,15,21H,13-14,16H2,(H3,26,27,32)(H2,28,29,33)
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| InChIKey |
IBRPTVGGYJORAN-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