General Information of the Compound
| Compound ID |
CP0541793
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| Compound Name |
methyl 4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-2-[1-[2-(trifluoromethyl)phenyl]ethoxy]benzoate
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| Structure |
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| Formula |
C29H29F3N4O3
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| Molecular Weight |
538.57
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| Canonical SMILES |
COC(=O)c1ccc(cc1OC(C)c1ccccc1C(F)(F)F)-c1cnc2cc(ccn12)N1CCN(C)CC1
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| InChI |
InChI=1S/C29H29F3N4O3/c1-19(22-6-4-5-7-24(22)29(30,31)32)39-26-16-20(8-9-23(26)28(37)38-3)25-18-33-27-17-21(10-11-36(25)27)35-14-12-34(2)13-15-35/h4-11,16-19H,12-15H2,1-3H3
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| InChIKey |
JJNJUWHZMBYWRY-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