General Information of the Compound
| Compound ID |
CP0519084
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| Compound Name |
6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(2-methylpropanoyl)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 |
C24H31N7O2
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| Molecular Weight |
449.559
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| Canonical SMILES |
CC(C)C(=O)N1CCN(Cc2c(C)c(NC(=O)c3ccc(C)nc3)cn3ncnc23)C[C@@H]1C
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| InChI |
InChI=1S/C24H31N7O2/c1-15(2)24(33)30-9-8-29(11-17(30)4)12-20-18(5)21(13-31-22(20)26-14-27-31)28-23(32)19-7-6-16(3)25-10-19/h6-7,10,13-15,17H,8-9,11-12H2,1-5H3,(H,28,32)/t17-/m0/s1
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| InChIKey |
XASNYYACCAXSOV-KRWDZBQOSA-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