General Information of the Compound
| Compound ID |
CP0469812
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| Compound Name |
US9012651, 43
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| Structure |
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| Formula |
C19H26FN3O
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| Molecular Weight |
331.435
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cccc(c1)N(C)C
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| InChI |
InChI=1S/C19H26FN3O/c1-13(2)19(12-24)21-11-18-16(20)8-9-17(22-18)14-6-5-7-15(10-14)23(3)4/h5-10,13,19,21,24H,11-12H2,1-4H3/t19-/m0/s1
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| InChIKey |
XTTPWUDIZLSBFE-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