General Information of the Compound
| Compound ID |
CP0424274
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| Compound Name |
1-{1-[3-(3-tert-Butyl-ureido)-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 |
C29H33N5O3
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| Molecular Weight |
499.615
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| Canonical SMILES |
CC(C)(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
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| InChI |
InChI=1S/C29H33N5O3/c1-29(2,3)33-28(37)31-23-14-9-10-20(18-23)19-34-25-15-8-7-11-21(25)16-17-24(26(34)35)32-27(36)30-22-12-5-4-6-13-22/h4-15,18,24H,16-17,19H2,1-3H3,(H2,30,32,36)(H2,31,33,37)
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| InChIKey |
OFRROJTVRCUBIF-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