General Information of the Compound
| Compound ID |
CP0563204
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| Compound Name |
US9266877, 175
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| Structure |
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| Formula |
C38H42N6O6S
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| Molecular Weight |
710.857
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| Canonical SMILES |
Cc1c(cnn1CC1(CCCCCC1)OCC(O)CO)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C38H42N6O6S/c1-24-29(19-39-44(24)23-38(50-22-26(46)21-45)16-6-2-3-7-17-38)27-13-14-33(41-34(27)36(48)49)43-18-15-25-9-8-10-28(30(25)20-43)35(47)42-37-40-31-11-4-5-12-32(31)51-37/h4-5,8-14,19,26,45-46H,2-3,6-7,15-18,20-23H2,1H3,(H,48,49)(H,40,42,47)
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| InChIKey |
HCPOGQMRHPKHMP-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