General Information of the Compound
| Compound ID |
CP0231469
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| Compound Name |
2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]acetamide
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| Structure |
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| Formula |
C23H27Cl2FN6O2
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| Molecular Weight |
509.413
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| Canonical SMILES |
CC(Oc1cc(cnc1N)-c1cnn(CC(=O)NCCCN(C)C)c1)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C23H27Cl2FN6O2/c1-14(21-17(24)5-6-18(26)22(21)25)34-19-9-15(10-29-23(19)27)16-11-30-32(12-16)13-20(33)28-7-4-8-31(2)3/h5-6,9-12,14H,4,7-8,13H2,1-3H3,(H2,27,29)(H,28,33)
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| InChIKey |
SVTVYRAZHFXLAP-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