General Information of the Compound
| Compound ID |
CP0368658
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| Compound Name |
13-[3-[(E)-(benzoylhydrazinylidene)methyl]-4-fluoroanilino]-N-(2-morpholin-4-ylethyl)-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxamide
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| Structure |
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| Formula |
C36H34FN5O4
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| Molecular Weight |
619.697
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| Canonical SMILES |
Fc1ccc(Nc2ccc3c(CCc4ccc(cc4C3=O)C(=O)NCCN3CCOCC3)c2)cc1\C=N\NC(=O)c1ccccc1
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| InChI |
InChI=1S/C36H34FN5O4/c37-33-13-11-30(21-28(33)23-39-41-36(45)25-4-2-1-3-5-25)40-29-10-12-31-26(20-29)8-6-24-7-9-27(22-32(24)34(31)43)35(44)38-14-15-42-16-18-46-19-17-42/h1-5,7,9-13,20-23,40H,6,8,14-19H2,(H,38,44)(H,41,45)/b39-23+
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| InChIKey |
LIBGFKZVXOPEFF-JRZNSJKLSA-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