General Information of the Compound
| Compound ID |
CP0471751
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| Compound Name |
6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C24H28F3N7O2
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| Molecular Weight |
503.529
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| Canonical SMILES |
C[C@H]1CN(Cc2c(C)c(NC(=O)c3ccc(C)nc3)cn3ncnc23)CCN1C(=O)CCC(F)(F)F
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| InChI |
InChI=1S/C24H28F3N7O2/c1-15-4-5-18(10-28-15)23(36)31-20-13-34-22(29-14-30-34)19(17(20)3)12-32-8-9-33(16(2)11-32)21(35)6-7-24(25,26)27/h4-5,10,13-14,16H,6-9,11-12H2,1-3H3,(H,31,36)/t16-/m0/s1
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| InChIKey |
FKTPFTFOPMZVER-INIZCTEOSA-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