General Information of the Compound
| Compound ID |
CP0570627
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| Compound Name |
US9266877, 142
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| Structure |
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| Formula |
C35H27N5O4S
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| Molecular Weight |
613.699
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| Canonical SMILES |
Cc1c(Oc2ccccc2)nccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C35H27N5O4S/c1-21-24(16-18-36-33(21)44-23-9-3-2-4-10-23)25-14-15-30(38-31(25)34(42)43)40-19-17-22-8-7-11-26(27(22)20-40)32(41)39-35-37-28-12-5-6-13-29(28)45-35/h2-16,18H,17,19-20H2,1H3,(H,42,43)(H,37,39,41)
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| InChIKey |
XVNMJABZHQBULE-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