General Information of the Compound
| Compound ID |
CP0541612
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| Compound Name |
(R)-N-(1-(5-(3,5-dichloro-2-(2,2-difluoroethoxy)phenyl)-3-fluoropyridin-2-yl)ethyl)-1-ethyl-2-(2,2,2-trifluoroacetyl)hydrazinecarboxamide
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| Structure |
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| Formula |
C20H18Cl2F6N4O3
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| Molecular Weight |
547.283
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| Canonical SMILES |
CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F
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| InChI |
InChI=1S/C20H18Cl2F6N4O3/c1-3-32(31-18(33)20(26,27)28)19(34)30-9(2)16-14(23)4-10(7-29-16)12-5-11(21)6-13(22)17(12)35-8-15(24)25/h4-7,9,15H,3,8H2,1-2H3,(H,30,34)(H,31,33)/t9-/m1/s1
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| InChIKey |
MBSYUQKUECOKLY-SECBINFHSA-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