General Information of the Compound
| Compound ID |
CP0369454
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| Compound Name |
[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]phenyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
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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)N1C[C@H](C)N[C@H](C)C1)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C26H27Cl2FN4O2/c1-14-12-33(13-15(2)32-14)26(34)18-6-4-17(5-7-18)19-10-22(25(30)31-11-19)35-16(3)23-20(27)8-9-21(29)24(23)28/h4-11,14-16,32H,12-13H2,1-3H3,(H2,30,31)/t14-,15+,16?
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| InChIKey |
KOOGZNWWYRPBFJ-XYPWUTKMSA-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