General Information of the Compound
| Compound ID |
CP0557831
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| Compound Name |
US8637502, 18
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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 |
Fc1cccc2n(C3CCN(CC3)C3CCCCCCC3)c(=O)c(=O)[nH]c12
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| InChI |
InChI=1S/C21H28FN3O2/c22-17-9-6-10-18-19(17)23-20(26)21(27)25(18)16-11-13-24(14-12-16)15-7-4-2-1-3-5-8-15/h6,9-10,15-16H,1-5,7-8,11-14H2,(H,23,26)
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| InChIKey |
HLZBBAVEMHTJOY-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