General Information of the Compound
| Compound ID |
CP0523952
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| Compound Name |
1-{1-[3-(3-Isopropyl-ureido)-benzyl]-2-oxo-azepan-3-yl}-3-phenyl-urea
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| Structure |
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| Formula |
C24H31N5O3
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| Molecular Weight |
437.544
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| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2CCCCC(NC(=O)Nc3ccccc3)C2=O)c1
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| InChI |
InChI=1S/C24H31N5O3/c1-17(2)25-23(31)27-20-12-8-9-18(15-20)16-29-14-7-6-13-21(22(29)30)28-24(32)26-19-10-4-3-5-11-19/h3-5,8-12,15,17,21H,6-7,13-14,16H2,1-2H3,(H2,25,27,31)(H2,26,28,32)
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| InChIKey |
ZPGNYUQVCLDPJA-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