General Information of the Compound
| Compound ID |
CP0143445
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| Compound Name |
3-(3-benzamido-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)-11-oxo-6H-benzo[c][1]benzoxepine-9-carboxamide
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| Structure |
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| Formula |
C34H31FN4O5
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| Molecular Weight |
594.643
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| Canonical SMILES |
Fc1ccc(Nc2ccc3c(OCc4ccc(cc4C3=O)C(=O)NCCN3CCOCC3)c2)cc1NC(=O)c1ccccc1
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| InChI |
InChI=1S/C34H31FN4O5/c35-29-11-9-25(19-30(29)38-34(42)22-4-2-1-3-5-22)37-26-8-10-27-31(20-26)44-21-24-7-6-23(18-28(24)32(27)40)33(41)36-12-13-39-14-16-43-17-15-39/h1-11,18-20,37H,12-17,21H2,(H,36,41)(H,38,42)
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| InChIKey |
KZWLZLUTYGMNBM-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