General Information of the Compound
| Compound ID |
CP0466643
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| Compound Name |
US9126941, RD8
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| Structure |
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| Formula |
C19H14F3N3O2S
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| Molecular Weight |
405.401
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| Canonical SMILES |
CC1(C)N(C(=S)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccc(O)cc1
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| InChI |
InChI=1S/C19H14F3N3O2S/c1-18(2)16(27)24(17(28)25(18)11-4-7-13(26)8-5-11)12-6-9-15(23-3)14(10-12)19(20,21)22/h4-10,26H,1-2H3
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| InChIKey |
NWTMEODFHATUNN-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