General Information of the Compound
| Compound ID |
CP0525182
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| Compound Name |
US9266877, 44
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| Structure |
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| Formula |
C38H37N9O5S
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| Molecular Weight |
731.839
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| Canonical SMILES |
CN(C)CCCNc1ccc(Cn2cc(cn2)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1[N+]([O-])=O
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| InChI |
InChI=1S/C38H37N9O5S/c1-44(2)17-6-16-39-30-13-11-24(19-32(30)47(51)52)21-46-22-26(20-40-46)27-12-14-34(42-35(27)37(49)50)45-18-15-25-7-5-8-28(29(25)23-45)36(48)43-38-41-31-9-3-4-10-33(31)53-38/h3-5,7-14,19-20,22,39H,6,15-18,21,23H2,1-2H3,(H,49,50)(H,41,43,48)
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| InChIKey |
SWGHOHOEWIDJCI-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