General Information of the Compound
| Compound ID |
CP0555271
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| Compound Name |
US9266877, 173
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| Structure |
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| Formula |
C40H44N6O6S
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| Molecular Weight |
736.895
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| Canonical SMILES |
Cc1c(cnn1CC1(CCCCCC1)OCC1COCCO1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C40H44N6O6S/c1-26-31(21-41-46(26)25-40(16-6-2-3-7-17-40)52-24-28-23-50-19-20-51-28)29-13-14-35(43-36(29)38(48)49)45-18-15-27-9-8-10-30(32(27)22-45)37(47)44-39-42-33-11-4-5-12-34(33)53-39/h4-5,8-14,21,28H,2-3,6-7,15-20,22-25H2,1H3,(H,48,49)(H,42,44,47)
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| InChIKey |
QSGKDORZHUZXTA-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