General Information of the Compound
| Compound ID |
CP0351448
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| Compound Name |
3-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
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| Structure |
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| Formula |
C30H28F3N5O
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| Molecular Weight |
531.582
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| Canonical SMILES |
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3ccn4ccnc4c3)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C30H28F3N5O/c1-21-3-5-24(18-23(21)6-4-22-9-11-38-12-10-34-28(38)17-22)29(39)35-26-8-7-25(27(19-26)30(31,32)33)20-37-15-13-36(2)14-16-37/h3,5,7-12,17-19H,13-16,20H2,1-2H3,(H,35,39)
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| InChIKey |
QYDARYJZZAMBOT-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
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000122 | GIST-T1 | Homo sapiens (Human) | 2 |
| 1 |
GI50 = 59 nM
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TI
LI
LO
TS
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| 2 |
GI50 = 184 nM
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TI
LI
LO
TS
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