General Information of the Compound
| Compound ID |
CP0148909
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| Compound Name |
N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C30H31F3N6O2
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| Molecular Weight |
564.612
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)-c2ccc3nc(NC(C)=O)cn3c2)CC1
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| InChI |
InChI=1S/C30H31F3N6O2/c1-19-4-8-24(15-25(19)22-7-9-28-36-27(34-20(2)40)18-39(28)17-22)35-29(41)21-5-6-23(26(14-21)30(31,32)33)16-38-12-10-37(3)11-13-38/h4-9,14-15,17-18H,10-13,16H2,1-3H3,(H,34,40)(H,35,41)
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| InChIKey |
JEDLVRSMLXMTLH-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