General Information of the Compound
| Compound ID |
CP0500062
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| Compound Name |
US9126941, RD66
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| Structure |
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| Formula |
C20H13F6N3OS
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| Molecular Weight |
457.399
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| Canonical SMILES |
CC1(C)N(C(=S)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H13F6N3OS/c1-18(2)16(30)28(13-8-9-15(27-3)14(10-13)20(24,25)26)17(31)29(18)12-6-4-11(5-7-12)19(21,22)23/h4-10H,1-2H3
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| InChIKey |
UJGJFENZQDMKQJ-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