General Information of the Compound
| Compound ID |
CP0551188
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| Compound Name |
CHEMBL4853615
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| Formula |
C24H18FN5O3
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| Molecular Weight |
443.438
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| Canonical SMILES |
NC(=O)c1c([nH]c2c(cnn12)C1CN(C1)C(=O)C#C)-c1ccc(Oc2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C24H18FN5O3/c1-2-20(31)29-12-15(13-29)19-11-27-30-22(23(26)32)21(28-24(19)30)14-3-7-17(8-4-14)33-18-9-5-16(25)6-10-18/h1,3-11,15,28H,12-13H2,(H2,26,32)
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| InChIKey |
VZVUGDKZJIUUHT-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