General Information of the Compound
| Compound ID |
CP0403831
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| Compound Name |
1-(4-Dimethylamino-phenyl)-3-{1-[3-(3-isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-urea
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| Structure |
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| Formula |
C30H36N6O3
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| Molecular Weight |
528.657
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| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(cc3)N(C)C)C2=O)c1
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| InChI |
InChI=1S/C30H36N6O3/c1-20(2)31-29(38)33-24-10-7-8-21(18-24)19-36-27-11-6-5-9-22(27)12-17-26(28(36)37)34-30(39)32-23-13-15-25(16-14-23)35(3)4/h5-11,13-16,18,20,26H,12,17,19H2,1-4H3,(H2,31,33,38)(H2,32,34,39)
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| InChIKey |
NNFDWIIGXONORP-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