General Information of the Compound
| Compound ID |
CP0307110
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| Compound Name |
N-[3-[1-hydroxy-2-[[3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C25H25N7O4S
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| Molecular Weight |
519.587
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| Canonical SMILES |
Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(NS(C)(=O)=O)c2)cc[nH]c1=O)-n1ccnc1
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| InChI |
InChI=1S/C25H25N7O4S/c1-15-10-18(32-9-8-26-14-32)12-20-23(15)30-24(29-20)22-19(6-7-27-25(22)34)28-13-21(33)16-4-3-5-17(11-16)31-37(2,35)36/h3-12,14,21,31,33H,13H2,1-2H3,(H,29,30)(H2,27,28,34)
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| InChIKey |
ITOBIOBRLRLTTQ-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