General Information of the Compound
| Compound ID |
CP0512637
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| Compound Name |
US9012651, 103
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| Structure |
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| Formula |
C21H25F4N3O
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| Molecular Weight |
411.443
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)N1CCc2ccc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C21H25F4N3O/c1-13(2)19(12-29)26-10-18-17(22)5-6-20(27-18)28-8-7-14-3-4-16(21(23,24)25)9-15(14)11-28/h3-6,9,13,19,26,29H,7-8,10-12H2,1-2H3/t19-/m0/s1
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| InChIKey |
KBVHOCGNQJSCAL-IBGZPJMESA-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