General Information of the Compound
| Compound ID |
CP0518251
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| Compound Name |
US9126941, RD133
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| Structure |
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| Formula |
C23H19F3N4O2S
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| Molecular Weight |
472.492
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| Canonical SMILES |
NC(=O)CCc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H19F3N4O2S/c1-28-18-9-8-16(13-17(18)23(24,25)26)29-20(32)22(11-2-12-22)30(21(29)33)15-6-3-14(4-7-15)5-10-19(27)31/h3-4,6-9,13H,2,5,10-12H2,(H2,27,31)
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| InChIKey |
CVIYFGXCIVYOTF-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