General Information of the Compound
| Compound ID |
CP0539138
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| Compound Name |
US9266877, 176
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| Structure |
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| Formula |
C38H39N7O3S
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| Molecular Weight |
673.843
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| Canonical SMILES |
CN(C)C1(Cn2c(C)c(cc2C#N)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
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| InChI |
InChI=1S/C38H39N7O3S/c1-24-29(20-26(21-39)45(24)23-38(43(2)3)17-7-4-8-18-38)27-14-15-33(41-34(27)36(47)48)44-19-16-25-10-9-11-28(30(25)22-44)35(46)42-37-40-31-12-5-6-13-32(31)49-37/h5-6,9-15,20H,4,7-8,16-19,22-23H2,1-3H3,(H,47,48)(H,40,42,46)
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| InChIKey |
GTQOBRXIUSEPME-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