General Information of the Compound
| Compound ID |
CP0488220
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| Compound Name |
1-Benzothiazol-2-yl-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 |
C29H30N6O3S
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| Molecular Weight |
542.665
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| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3nc4ccccc4s3)C2=O)c1
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| InChI |
InChI=1S/C29H30N6O3S/c1-18(2)30-27(37)31-21-10-7-8-19(16-21)17-35-24-12-5-3-9-20(24)14-15-23(26(35)36)32-28(38)34-29-33-22-11-4-6-13-25(22)39-29/h3-13,16,18,23H,14-15,17H2,1-2H3,(H2,30,31,37)(H2,32,33,34,38)
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| InChIKey |
MGWWRAQPCFBEQE-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