General Information of the Compound
| Compound ID |
CP0529178
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| Compound Name |
US9266877, 137
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| Structure |
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| Formula |
C40H41N5O3S
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| Molecular Weight |
671.867
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1ccc2CN(CCC3CCCCC3)CCc2c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C40H41N5O3S/c46-38(43-40-41-34-11-4-5-12-35(34)49-40)32-10-6-9-27-19-22-45(25-33(27)32)36-16-15-31(37(42-36)39(47)48)29-13-14-30-24-44(21-18-28(30)23-29)20-17-26-7-2-1-3-8-26/h4-6,9-16,23,26H,1-3,7-8,17-22,24-25H2,(H,47,48)(H,41,43,46)
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| InChIKey |
KXXFAOMISJDSGF-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