General Information of the Compound
| Compound ID |
CP0287476
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| Compound Name |
3-(2-(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-2-oxo-1,2-dihydropyridin-4-ylamino)-1-hydroxyethyl)benzonitrile
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| Structure |
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| Formula |
C25H21N7O2
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| Molecular Weight |
451.49
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| Canonical SMILES |
Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(c2)C#N)cc[nH]c1=O)-n1ccnc1
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| InChI |
InChI=1S/C25H21N7O2/c1-15-9-18(32-8-7-27-14-32)11-20-23(15)31-24(30-20)22-19(5-6-28-25(22)34)29-13-21(33)17-4-2-3-16(10-17)12-26/h2-11,14,21,33H,13H2,1H3,(H,30,31)(H2,28,29,34)
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| InChIKey |
CUIKHKQELSFEHB-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