General Information of the Compound
| Compound ID |
CP0563203
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| Compound Name |
US9266877, 96
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| Structure |
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| Formula |
C40H38N6O3S
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| Molecular Weight |
682.85
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(c1)C(CC1CCCCC1)c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C40H38N6O3S/c47-38(44-40-42-33-16-7-8-17-35(33)50-40)31-15-9-14-27-20-21-45(25-32(27)31)36-19-18-30(37(43-36)39(48)49)29-23-41-46(24-29)34(28-12-5-2-6-13-28)22-26-10-3-1-4-11-26/h2,5-9,12-19,23-24,26,34H,1,3-4,10-11,20-22,25H2,(H,48,49)(H,42,44,47)
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| InChIKey |
KBAMPYFUEMHYOQ-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