General Information of the Compound
| Compound ID |
CP0357189
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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-[2-(dimethylamino)ethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C24H29Cl2FN6O2
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| Molecular Weight |
523.44
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| Canonical SMILES |
CC(Oc1cc(cnc1N)-c1cnn(c1)C(C)(C)C(=O)NCCN(C)C)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C24H29Cl2FN6O2/c1-14(20-17(25)6-7-18(27)21(20)26)35-19-10-15(11-30-22(19)28)16-12-31-33(13-16)24(2,3)23(34)29-8-9-32(4)5/h6-7,10-14H,8-9H2,1-5H3,(H2,28,30)(H,29,34)
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| InChIKey |
NJNFJKUWAWYKBY-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