General Information of the Compound
| Compound ID |
CP0191185
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| Compound Name |
3-[2-(6-aminopyridin-3-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
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| Structure |
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| Formula |
C28H28F3N5O
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| Molecular Weight |
507.56
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| Canonical SMILES |
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3ccc(N)nc3)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C28H28F3N5O/c1-19-3-6-22(15-21(19)7-4-20-5-10-26(32)33-17-20)27(37)34-24-9-8-23(25(16-24)28(29,30)31)18-36-13-11-35(2)12-14-36/h3,5-6,8-10,15-17H,11-14,18H2,1-2H3,(H2,32,33)(H,34,37)
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| InChIKey |
GXKQOTHJSMWLBJ-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