General Information of the Compound
| Compound ID |
CP0470274
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| Compound Name |
US8614213, 2.26
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| Formula |
C21H21Cl2F3N2O
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| Molecular Weight |
445.312
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| Canonical SMILES |
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](CNc2ccccc2Cl)CC1
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| InChI |
InChI=1S/C21H21Cl2F3N2O/c22-17-10-7-14(21(24,25)26)11-16(17)20(29)28-15-8-5-13(6-9-15)12-27-19-4-2-1-3-18(19)23/h1-4,7,10-11,13,15,27H,5-6,8-9,12H2,(H,28,29)/t13-,15-
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| InChIKey |
YEDWIMCNMTWBHK-CTYIDZIISA-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