General Information of the Compound
| Compound ID |
CP0470275
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| Compound Name |
US8614213, 9
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| Formula |
C21H21ClF4N2O
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| Molecular Weight |
428.857
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| Canonical SMILES |
Fc1cccc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c1
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| InChI |
InChI=1S/C21H21ClF4N2O/c22-19-9-6-14(21(24,25)26)10-18(19)20(29)28-16-7-4-13(5-8-16)12-27-17-3-1-2-15(23)11-17/h1-3,6,9-11,13,16,27H,4-5,7-8,12H2,(H,28,29)/t13-,16-
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| InChIKey |
GDIJRJMHPKMCNM-SAZUREKKSA-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