General Information of the Compound
| Compound ID |
CP0090777
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| Compound Name |
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
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| Structure |
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| Formula |
C26H27Cl2FN4O2
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| Molecular Weight |
517.432
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| Canonical SMILES |
CC(Oc1cc(cnc1N)-c1ccc(cc1)C(=O)NCCN1CCCC1)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C26H27Cl2FN4O2/c1-16(23-20(27)8-9-21(29)24(23)28)35-22-14-19(15-32-25(22)30)17-4-6-18(7-5-17)26(34)31-10-13-33-11-2-3-12-33/h4-9,14-16H,2-3,10-13H2,1H3,(H2,30,32)(H,31,34)
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| InChIKey |
DWRSFLPJFKITBF-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