General Information of the Compound
| Compound ID |
CP0470252
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| Compound Name |
US9266877, 77
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| Structure |
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| Formula |
C39H37N7O4S
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| Molecular Weight |
699.837
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(c1)C(CCN1CCOCC1)c1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C39H37N7O4S/c47-37(43-39-41-32-11-4-5-12-34(32)51-39)30-10-6-9-26-15-18-45(25-31(26)30)35-14-13-29(36(42-35)38(48)49)28-23-40-46(24-28)33(27-7-2-1-3-8-27)16-17-44-19-21-50-22-20-44/h1-14,23-24,33H,15-22,25H2,(H,48,49)(H,41,43,47)
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| InChIKey |
MPYLKMUWAMOGSA-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