General Information of the Compound
| Compound ID |
CP0520503
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| Compound Name |
US9012651, 29
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| Structure |
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| Formula |
C18H18F4N2O
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| Molecular Weight |
354.347
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| Canonical SMILES |
OC[C@@H](NCc1nc(ccc1F)-c1ccc(cc1)C(F)(F)F)C1CC1
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| InChI |
InChI=1S/C18H18F4N2O/c19-14-7-8-15(11-3-5-13(6-4-11)18(20,21)22)24-16(14)9-23-17(10-25)12-1-2-12/h3-8,12,17,23,25H,1-2,9-10H2/t17-/m1/s1
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| InChIKey |
QCIDLOFQAFJFBE-QGZVFWFLSA-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