General Information of the Compound
| Compound ID |
CP0392000
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| Compound Name |
N-(2-aminoethyl)-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide
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| Structure |
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| Formula |
C29H31F3N6O2
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| Molecular Weight |
552.601
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| Canonical SMILES |
CN1CCN(CC1)c1ccn2c(cnc2c1)-c1ccc(C(=O)NCCN)c(OCc2ccccc2C(F)(F)F)c1
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| InChI |
InChI=1S/C29H31F3N6O2/c1-36-12-14-37(15-13-36)22-8-11-38-25(18-35-27(38)17-22)20-6-7-23(28(39)34-10-9-33)26(16-20)40-19-21-4-2-3-5-24(21)29(30,31)32/h2-8,11,16-18H,9-10,12-15,19,33H2,1H3,(H,34,39)
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| InChIKey |
APFRWBXXXOVAJJ-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