General Information of the Compound
| Compound ID |
CP0466747
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| Compound Name |
1-{1-[3-(3-Isopropyl-ureido)-benzyl]-2-oxo-1,2,3,4,5,6-hexahydro-benzo[b]azocin-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)NC(=O)Nc1cccc(CN2c3ccccc3CCCC(NC(=O)Nc3ccccc3)C2=O)c1
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| InChI |
InChI=1S/C29H33N5O3/c1-20(2)30-28(36)32-24-15-8-10-21(18-24)19-34-26-17-7-6-11-22(26)12-9-16-25(27(34)35)33-29(37)31-23-13-4-3-5-14-23/h3-8,10-11,13-15,17-18,20,25H,9,12,16,19H2,1-2H3,(H2,30,32,36)(H2,31,33,37)
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| InChIKey |
LTXXUPQYHDNCDW-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