General Information of the Compound
| Compound ID |
CP0089090
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| Compound Name |
N-[5-(5-acetamido-2-propan-2-yl-1,2,4-triazol-3-yl)-3-piperidin-1-ylpyridin-2-yl]-2-chloro-6-fluoro-N-methylbenzamide
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| Structure |
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| Formula |
C25H29ClFN7O2
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| Molecular Weight |
514.005
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| Canonical SMILES |
CC(C)n1nc(NC(C)=O)nc1-c1cnc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1
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| InChI |
InChI=1S/C25H29ClFN7O2/c1-15(2)34-22(30-25(31-34)29-16(3)35)17-13-20(33-11-6-5-7-12-33)23(28-14-17)32(4)24(36)21-18(26)9-8-10-19(21)27/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,29,31,35)
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| InChIKey |
XHFVNNYFDCLKOC-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