General Information of the Compound
| Compound ID |
CP0559423
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| Compound Name |
CHEMBL4876450
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| Formula |
C26H22FN5O3
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| Molecular Weight |
471.492
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| Canonical SMILES |
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C#C)-c1ccc(Oc2cccc(F)c2)cc1
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| InChI |
InChI=1S/C26H22FN5O3/c1-2-22(33)31-12-10-16(11-13-31)21-15-29-32-24(25(28)34)23(30-26(21)32)17-6-8-19(9-7-17)35-20-5-3-4-18(27)14-20/h1,3-9,14-16,30H,10-13H2,(H2,28,34)
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| InChIKey |
DMOQEZVGMLQMQW-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