General Information of the Compound
| Compound ID |
CP0569126
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| Compound Name |
US9266877, 170
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| Structure |
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| Formula |
C40H46N6O6S
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| Molecular Weight |
738.911
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| Canonical SMILES |
COCC(COC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1)OC
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| InChI |
InChI=1S/C40H46N6O6S/c1-26-31(21-41-46(26)25-40(18-8-4-5-9-19-40)52-24-28(51-3)23-50-2)29-15-16-35(43-36(29)38(48)49)45-20-17-27-11-10-12-30(32(27)22-45)37(47)44-39-42-33-13-6-7-14-34(33)53-39/h6-7,10-16,21,28H,4-5,8-9,17-20,22-25H2,1-3H3,(H,48,49)(H,42,44,47)
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| InChIKey |
CGTIQFGPEXLTCC-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