General Information of the Compound
| Compound ID |
CP0560091
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| Compound Name |
US9012651, 170
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| Structure |
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| Formula |
C20H22F3N3O
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| Molecular Weight |
377.41
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| Canonical SMILES |
OCC1C2CCC(C2)[C@@H]1NCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H22F3N3O/c21-20(22,23)15-5-3-12(4-6-15)19-24-8-7-16(26-19)10-25-18-14-2-1-13(9-14)17(18)11-27/h3-8,13-14,17-18,25,27H,1-2,9-11H2/t13?,14?,17?,18-/m0/s1
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| InChIKey |
GSVLSLVYMNXQGH-RXWFTMJKSA-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