General Information of the Compound
| Compound ID |
CP0493918
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| Compound Name |
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(6-piperazin-1-ylpyridin-3-yl)pyridin-2-amine
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| Structure |
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| Formula |
C22H22Cl2FN5O
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| Molecular Weight |
462.356
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| Canonical SMILES |
CC(Oc1cc(cnc1N)-c1ccc(nc1)N1CCNCC1)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C22H22Cl2FN5O/c1-13(20-16(23)3-4-17(25)21(20)24)31-18-10-15(12-29-22(18)26)14-2-5-19(28-11-14)30-8-6-27-7-9-30/h2-5,10-13,27H,6-9H2,1H3,(H2,26,29)
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| InChIKey |
OFNHIFCNUMVFNU-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