General Information of the Compound
| Compound ID |
CP0531014
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| Compound Name |
US9187437, 2
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| Structure |
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| Formula |
C21H21F2N3O2
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| Molecular Weight |
385.414
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| Canonical SMILES |
Fc1cc(F)cc(c1)C1(CCc2nc(no2)-c2cc[nH]c(=O)c2)CCCCC1
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| InChI |
InChI=1S/C21H21F2N3O2/c22-16-11-15(12-17(23)13-16)21(6-2-1-3-7-21)8-4-19-25-20(26-28-19)14-5-9-24-18(27)10-14/h5,9-13H,1-4,6-8H2,(H,24,27)
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| InChIKey |
PUYCOEUYHMGUKY-UHFFFAOYSA-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