General Information of the Compound
| Compound ID |
CP0036969
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| Compound Name |
4-(2-(1-(2-methoxyethyl)-1H-imidazol-4-yl)ethylamino)-3-(4-methyl-6-morpholino-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C25H31N7O3
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| Molecular Weight |
477.569
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| Canonical SMILES |
COCCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1
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| InChI |
InChI=1S/C25H31N7O3/c1-17-13-19(32-8-11-35-12-9-32)14-21-23(17)30-24(29-21)22-20(4-6-27-25(22)33)26-5-3-18-15-31(16-28-18)7-10-34-2/h4,6,13-16H,3,5,7-12H2,1-2H3,(H,29,30)(H2,26,27,33)
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| InChIKey |
ATQHXGKVDGVPFR-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