General Information of the Compound
| Compound ID |
CP0540985
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| Compound Name |
US9266877, 80
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| Structure |
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| Formula |
C35H31N7O3S
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| Molecular Weight |
629.746
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| Canonical SMILES |
CN(C)c1ccccc1Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C35H31N7O3S/c1-40(2)29-12-5-3-8-23(29)19-42-20-24(18-36-42)25-14-15-31(38-32(25)34(44)45)41-17-16-22-9-7-10-26(27(22)21-41)33(43)39-35-37-28-11-4-6-13-30(28)46-35/h3-15,18,20H,16-17,19,21H2,1-2H3,(H,44,45)(H,37,39,43)
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| InChIKey |
XQIIDBWQRVEUTH-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