General Information of the Compound
| Compound ID |
CP0524581
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| Compound Name |
US9012651, 231
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| Structure |
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| Formula |
C15H23F3N4O
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| Molecular Weight |
332.37
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ncc1F)N1CCC(F)(F)CC1
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| InChI |
InChI=1S/C15H23F3N4O/c1-10(2)13(9-23)19-8-12-11(16)7-20-14(21-12)22-5-3-15(17,18)4-6-22/h7,10,13,19,23H,3-6,8-9H2,1-2H3/t13-/m0/s1
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| InChIKey |
ZBLATYBSZJWXOD-ZDUSSCGKSA-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