General Information of the Compound
| Compound ID |
CP0506104
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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-thiazol-2-yl-urea
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| Structure |
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| Formula |
C25H28N6O3S
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| Molecular Weight |
492.605
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| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3nccs3)C2=O)c1
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| InChI |
InChI=1S/C25H28N6O3S/c1-16(2)27-23(33)28-19-8-5-6-17(14-19)15-31-21-9-4-3-7-18(21)10-11-20(22(31)32)29-24(34)30-25-26-12-13-35-25/h3-9,12-14,16,20H,10-11,15H2,1-2H3,(H2,27,28,33)(H2,26,29,30,34)
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| InChIKey |
VVZDLSQBFMXHTG-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