General Information of the Compound
| Compound ID |
CP0470312
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| Compound Name |
US9012651, 68
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| Structure |
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| Formula |
C18H21F4N3O2
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| Molecular Weight |
387.377
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| Canonical SMILES |
CC(CCO)CNCc1ccc(F)c(n1)-c1ccc(OCC(F)(F)F)nc1
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| InChI |
InChI=1S/C18H21F4N3O2/c1-12(6-7-26)8-23-10-14-3-4-15(19)17(25-14)13-2-5-16(24-9-13)27-11-18(20,21)22/h2-5,9,12,23,26H,6-8,10-11H2,1H3
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| InChIKey |
HUDJFQQXIZGNTD-UHFFFAOYSA-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