General Information of the Compound
| Compound ID |
CP0551650
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| Compound Name |
US8637502, 17
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| Structure |
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| Formula |
C21H28FN3O2
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| Molecular Weight |
373.472
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| Canonical SMILES |
Fc1ccc2[nH]c(=O)c(=O)n(C3CCN(CC3)C3CCCCCCC3)c2c1
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| InChI |
InChI=1S/C21H28FN3O2/c22-15-8-9-18-19(14-15)25(21(27)20(26)23-18)17-10-12-24(13-11-17)16-6-4-2-1-3-5-7-16/h8-9,14,16-17H,1-7,10-13H2,(H,23,26)
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| InChIKey |
WLVVKUAGVPJCQB-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