General Information of the Compound
| Compound ID |
CP0484934
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| Compound Name |
US8653125, Ic-17
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| Formula |
C21H20ClFN4O2
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| Molecular Weight |
414.868
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| Canonical SMILES |
Fc1ccccc1-n1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)Oc2cc(Cl)ccn2)n1
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| InChI |
InChI=1S/C21H20ClFN4O2/c22-15-9-11-24-20(13-15)29-16-7-5-14(6-8-16)21(28)25-19-10-12-27(26-19)18-4-2-1-3-17(18)23/h1-4,9-14,16H,5-8H2,(H,25,26,28)/t14-,16+
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| InChIKey |
CNEBXWXMELJZFE-FZNQNYSPSA-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