General Information of the Compound
| Compound ID |
CP0518402
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| Compound Name |
1-{1-[3-(3-Isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-3-pyridin-4-yl-urea
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| Structure |
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| Formula |
C27H30N6O3
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| Molecular Weight |
486.576
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| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccncc3)C2=O)c1
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| InChI |
InChI=1S/C27H30N6O3/c1-18(2)29-26(35)31-22-8-5-6-19(16-22)17-33-24-9-4-3-7-20(24)10-11-23(25(33)34)32-27(36)30-21-12-14-28-15-13-21/h3-9,12-16,18,23H,10-11,17H2,1-2H3,(H2,29,31,35)(H2,28,30,32,36)
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| InChIKey |
PTTHQFBQRHNZAR-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