General Information of the Compound
| Compound ID |
CP0426400
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| Compound Name |
3-[4-fluoro-3-(thiophene-2-carbonylamino)anilino]-N-(2-morpholin-4-ylethyl)-11-oxo-6H-benzo[c][1]benzoxepine-9-carboxamide
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| Structure |
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| Formula |
C32H29FN4O5S
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| Molecular Weight |
600.672
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| Canonical SMILES |
Fc1ccc(Nc2ccc3c(OCc4ccc(cc4C3=O)C(=O)NCCN3CCOCC3)c2)cc1NC(=O)c1cccs1
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| InChI |
InChI=1S/C32H29FN4O5S/c33-26-8-6-22(17-27(26)36-32(40)29-2-1-15-43-29)35-23-5-7-24-28(18-23)42-19-21-4-3-20(16-25(21)30(24)38)31(39)34-9-10-37-11-13-41-14-12-37/h1-8,15-18,35H,9-14,19H2,(H,34,39)(H,36,40)
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| InChIKey |
ZHZOHMNWBVRIJH-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