General Information of the Compound
| Compound ID |
CP0351449
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| Compound Name |
2-ethyl-3-iodo-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
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| Structure |
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| Formula |
C22H25F3IN3O
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| Molecular Weight |
531.36
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| Canonical SMILES |
CCc1c(I)cccc1C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H25F3IN3O/c1-3-17-18(5-4-6-20(17)26)21(30)27-16-8-7-15(19(13-16)22(23,24)25)14-29-11-9-28(2)10-12-29/h4-8,13H,3,9-12,14H2,1-2H3,(H,27,30)
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| InChIKey |
GCWJQZANTVFKSF-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) | 1 |
| 1 |
GI50 = 11006 nM
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TI
LI
LO
TS
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