General Information of the Compound
| Compound ID |
CP0566765
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| Compound Name |
US9126941, RD137
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| Structure |
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| Formula |
C24H22F3N5OS
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| Molecular Weight |
485.535
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1[N+]#[C-])N1C(=S)N(c2ccc(cc2)N2CCNCC2)C2(CCC2)C1=O
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| InChI |
InChI=1S/C24H22F3N5OS/c1-28-20-8-7-18(15-19(20)24(25,26)27)31-21(33)23(9-2-10-23)32(22(31)34)17-5-3-16(4-6-17)30-13-11-29-12-14-30/h3-8,15,29H,2,9-14H2
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| InChIKey |
QDJQEOVIWHPSEG-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