General Information of the Compound
| Compound ID |
CP0095419
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| Compound Name |
methyl 1-[2-[[3-(4-methyl-6-morpholin-4-yl-1H-benzimidazol-2-yl)-2-oxo-1H-pyridin-4-yl]amino]ethyl]pyrazole-4-carboxylate
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| Structure |
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| Formula |
C24H27N7O4
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| Molecular Weight |
477.525
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| Canonical SMILES |
COC(=O)c1cnn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)c1
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| InChI |
InChI=1S/C24H27N7O4/c1-15-11-17(30-7-9-35-10-8-30)12-19-21(15)29-22(28-19)20-18(3-4-26-23(20)32)25-5-6-31-14-16(13-27-31)24(33)34-2/h3-4,11-14H,5-10H2,1-2H3,(H,28,29)(H2,25,26,32)
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| InChIKey |
WWLSTXMASOHINF-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