General Information of the Compound
| Compound ID |
CP0553133
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| Compound Name |
N-(3-fluoro-1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide
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| Formula |
C22H24FN5O2
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| Molecular Weight |
409.465
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| Canonical SMILES |
Cc1ccc(CN2CCN(CC2)C(=O)C(=O)Nc2cnc3n(C)cc(F)c3c2)cc1
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| InChI |
InChI=1S/C22H24FN5O2/c1-15-3-5-16(6-4-15)13-27-7-9-28(10-8-27)22(30)21(29)25-17-11-18-19(23)14-26(2)20(18)24-12-17/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,25,29)
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| InChIKey |
FKYBEMRXGHLJPO-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