General Information of the Compound
| Compound ID |
CP0516223
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| Compound Name |
US9266877, 25
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| Structure |
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| Formula |
C33H25ClN6O3S
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| Molecular Weight |
621.122
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cnn(Cc2ccccc2Cl)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C33H25ClN6O3S/c34-26-9-2-1-6-21(26)17-40-18-22(16-35-40)23-12-13-29(37-30(23)32(42)43)39-15-14-20-7-5-8-24(25(20)19-39)31(41)38-33-36-27-10-3-4-11-28(27)44-33/h1-13,16,18H,14-15,17,19H2,(H,42,43)(H,36,38,41)
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| InChIKey |
BHWVVHIVIDBMRE-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