General Information of the Compound
| Compound ID |
CP0479865
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| Compound Name |
US9266877, 31
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| Structure |
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| Formula |
C40H32N6O4S
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| Molecular Weight |
692.801
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2OCc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C40H32N6O4S/c47-38(44-40-42-33-14-5-7-16-35(33)51-40)31-13-8-12-27-19-20-45(24-32(27)31)36-18-17-30(37(43-36)39(48)49)29-21-41-46(23-29)22-28-11-4-6-15-34(28)50-25-26-9-2-1-3-10-26/h1-18,21,23H,19-20,22,24-25H2,(H,48,49)(H,42,44,47)
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| InChIKey |
WTTWVVSGLLCMKY-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