General Information of the Compound
| Compound ID |
CP0441158
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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-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-urea
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| Structure |
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| Formula |
C31H32N6O5
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| Molecular Weight |
568.634
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| Canonical SMILES |
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4C(=O)N(C)C(=O)c4c3)C2=O)c1
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| InChI |
InChI=1S/C31H32N6O5/c1-18(2)32-30(41)33-21-9-6-7-19(15-21)17-37-26-10-5-4-8-20(26)11-14-25(29(37)40)35-31(42)34-22-12-13-23-24(16-22)28(39)36(3)27(23)38/h4-10,12-13,15-16,18,25H,11,14,17H2,1-3H3,(H2,32,33,41)(H2,34,35,42)
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| InChIKey |
WBMOCZFURZJQTK-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