General Information of the Compound
| Compound ID |
CP0565037
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| Compound Name |
US9012651, 197
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| Structure |
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| Formula |
C17H21F3N4O3
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| Molecular Weight |
386.374
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| Canonical SMILES |
CC(C)(O)[C@H](CO)NCc1ccnc(n1)-c1ccc(OCC(F)(F)F)nc1
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| InChI |
InChI=1S/C17H21F3N4O3/c1-16(2,26)13(9-25)22-8-12-5-6-21-15(24-12)11-3-4-14(23-7-11)27-10-17(18,19)20/h3-7,13,22,25-26H,8-10H2,1-2H3/t13-/m0/s1
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| InChIKey |
YVRNYWNWSXPHDQ-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