General Information of the Compound
| Compound ID |
CP0849398
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| Compound Name |
2-[4-(5-Chloro-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin-1-yl]-N-(9-ethyl-9H-carbazol-3-yl)-acetamide
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| Structure |
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| Formula |
C29H30Cl2N4O3
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| Molecular Weight |
553.49
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| Canonical SMILES |
CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cc(Cl)ccc54)CC3)ccc21.Cl
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| InChI |
InChI=1S/C29H29ClN4O3.ClH/c1-2-33-26-6-4-3-5-23(26)24-16-21(8-10-27(24)33)31-28(35)17-32-13-11-22(12-14-32)34-25-9-7-20(30)15-19(25)18-37-29(34)36;/h3-10,15-16,22H,2,11-14,17-18H2,1H3,(H,31,35);1H
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| InChIKey |
YENNVWYWQWAWRJ-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