General Information of the Compound
| Compound ID |
CP0551186
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| Compound Name |
CHEMBL4870107
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| Formula |
C24H22N6O2
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| Molecular Weight |
426.48
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| Canonical SMILES |
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C#N)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C24H22N6O2/c25-15-29-12-10-16(11-13-29)20-14-27-30-22(23(26)31)21(28-24(20)30)17-6-8-19(9-7-17)32-18-4-2-1-3-5-18/h1-9,14,16,28H,10-13H2,(H2,26,31)
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| InChIKey |
YVXGEKWERVIGOX-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