General Information of the Compound
| Compound ID |
CP0425564
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| Compound Name |
US9266877, 45
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| Structure |
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| Formula |
C33H24FN7O5S
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| Molecular Weight |
649.664
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(Cc2ccc(F)c(c2)[N+]([O-])=O)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C33H24FN7O5S/c34-25-10-8-19(14-27(25)41(45)46)16-40-17-21(15-35-40)22-9-11-29(37-30(22)32(43)44)39-13-12-20-4-3-5-23(24(20)18-39)31(42)38-33-36-26-6-1-2-7-28(26)47-33/h1-11,14-15,17H,12-13,16,18H2,(H,43,44)(H,36,38,42)
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| InChIKey |
QRHGHYAKVNINDB-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