General Information of the Compound
| Compound ID |
CP0564358
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| Compound Name |
US9012651, 125
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| Structure |
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| Formula |
C19H22F2N2O
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| Molecular Weight |
332.394
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)C(=C)c1ccc(F)cc1
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| InChI |
InChI=1S/C19H22F2N2O/c1-12(2)19(11-24)22-10-18-16(21)8-9-17(23-18)13(3)14-4-6-15(20)7-5-14/h4-9,12,19,22,24H,3,10-11H2,1-2H3/t19-/m0/s1
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| InChIKey |
MUNWWIFKEXJNPS-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