General Information of the Compound
| Compound ID |
CP0161699
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| Compound Name |
N-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide
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| Structure |
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| Formula |
C27H27FN4O
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| Molecular Weight |
442.538
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| Canonical SMILES |
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cccnc3)cc2F)CC1
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| InChI |
InChI=1S/C27H27FN4O/c1-20-5-7-23(16-22(20)8-6-21-4-3-11-29-18-21)27(33)30-25-10-9-24(26(28)17-25)19-32-14-12-31(2)13-15-32/h3-5,7,9-11,16-18H,12-15,19H2,1-2H3,(H,30,33)
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| InChIKey |
LWCQXJGSVJHFRS-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