General Information of the Compound
| Compound ID |
CP0425565
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| Compound Name |
US9266877, 46
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| Structure |
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| Formula |
C39H37N7O5S
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| Molecular Weight |
715.836
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2OCCN2CCOCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C39H37N7O5S/c47-37(43-39-41-32-9-2-4-11-34(32)52-39)30-8-5-7-26-14-15-45(25-31(26)30)35-13-12-29(36(42-35)38(48)49)28-22-40-46(24-28)23-27-6-1-3-10-33(27)51-21-18-44-16-19-50-20-17-44/h1-13,22,24H,14-21,23,25H2,(H,48,49)(H,41,43,47)
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| InChIKey |
HTSMAYIADJQPMN-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