General Information of the Compound
| Compound ID |
CP0118878
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| Compound Name |
US10005782, Compound 6b
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| Structure |
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| Formula |
C28H25N5O3
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| Molecular Weight |
479.54
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| Canonical SMILES |
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C28H25N5O3/c1-2-24(34)31-22-11-7-6-10-21(22)23-16-17-30-28-25(27(29)35)26(32-33(23)28)18-12-14-20(15-13-18)36-19-8-4-3-5-9-19/h2-15,23,30H,1,16-17H2,(H2,29,35)(H,31,34)
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| InChIKey |
TZAAHFAAEVJUJO-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