General Information of the Compound
| Compound ID |
CP0545641
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| Compound Name |
US9126941, RD9
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| Structure |
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| Formula |
C19H15F3N4OS
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| Molecular Weight |
404.417
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| Canonical SMILES |
CC1(C)N(C(=S)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccc(N)cc1
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| InChI |
InChI=1S/C19H15F3N4OS/c1-18(2)16(27)25(17(28)26(18)12-6-4-11(23)5-7-12)13-8-9-15(24-3)14(10-13)19(20,21)22/h4-10H,23H2,1-2H3
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| InChIKey |
JBLXKQXOMQCOFQ-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