General Information of the Compound
| Compound ID |
CP0517839
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| Compound Name |
US9266877, 104
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| Structure |
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| Formula |
C35H25N5O6S
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| Molecular Weight |
643.681
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cccc(Oc2ccc(cc2)[N+]([O-])=O)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C35H25N5O6S/c41-33(38-35-36-29-9-1-2-10-30(29)47-35)27-8-4-5-21-17-18-39(20-28(21)27)31-16-15-26(32(37-31)34(42)43)22-6-3-7-25(19-22)46-24-13-11-23(12-14-24)40(44)45/h1-16,19H,17-18,20H2,(H,42,43)(H,36,38,41)
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| InChIKey |
SRMMAHLQXRMAJV-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