General Information of the Compound
| Compound ID |
CP0516805
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| Compound Name |
US8969325, 108
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| Structure |
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| Formula |
C21H20FN3O4
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| Molecular Weight |
397.406
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| Canonical SMILES |
Fc1ccc2OC3(CCC3)C[C@@H](NC(=O)Nc3ccc4OCC(=O)Nc4c3)c2c1
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| InChI |
InChI=1S/C21H20FN3O4/c22-12-2-4-17-14(8-12)16(10-21(29-17)6-1-7-21)25-20(27)23-13-3-5-18-15(9-13)24-19(26)11-28-18/h2-5,8-9,16H,1,6-7,10-11H2,(H,24,26)(H2,23,25,27)/t16-/m1/s1
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| InChIKey |
OUWHARJTHJHAEO-MRXNPFEDSA-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