General Information of the Compound
| Compound ID |
CP0461575
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| Compound Name |
US9126941, RD134
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| Structure |
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| Formula |
C24H21F3N4O2S
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| Molecular Weight |
486.519
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| Canonical SMILES |
CNC(=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/C24H21F3N4O2S/c1-28-19-10-9-17(14-18(19)24(25,26)27)30-21(33)23(12-3-13-23)31(22(30)34)16-7-4-15(5-8-16)6-11-20(32)29-2/h4-5,7-10,14H,3,6,11-13H2,2H3,(H,29,32)
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| InChIKey |
LMJUCKHTHRCWPE-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