General Information of the Compound
| Compound ID |
CP0516436
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| Compound Name |
US9340500, I-096
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| Structure |
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| Formula |
C22H30F3N3O
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| Molecular Weight |
409.496
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| Canonical SMILES |
CNC(C)CCn1c(C)c(cc1C(C)(C)C)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H30F3N3O/c1-14(26-6)10-11-28-15(2)18(13-19(28)21(3,4)5)20(29)27-17-9-7-8-16(12-17)22(23,24)25/h7-9,12-14,26H,10-11H2,1-6H3,(H,27,29)
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| InChIKey |
IXIRGIJRPHFQES-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