General Information of the Compound
| Compound ID |
CP0117157
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| Compound Name |
US9085576, 375
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| Structure |
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| Formula |
C18H20F3N3O
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| Molecular Weight |
351.372
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| Canonical SMILES |
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2CC(=C)C2)ccc1F
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| InChI |
InChI=1S/C18H20F3N3O/c1-9-4-10(5-9)8-23-11-2-3-14(19)12(6-11)18(16(20)21)13-7-15(13)25-17(22)24-18/h2-3,6,10,13,15-16,23H,1,4-5,7-8H2,(H2,22,24)/t13-,15+,18+/m0/s1
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| InChIKey |
HBTHVDASSXYJDR-JCKWVBRZSA-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