General Information of the Compound
| Compound ID |
CP0521487
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| Compound Name |
US9266877, 126
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| Structure |
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| Formula |
C34H27N5O5S2
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| Molecular Weight |
649.754
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C34H27N5O5S2/c1-21-9-11-24(12-10-21)46(43,44)39-18-16-23(19-39)25-13-14-30(36-31(25)33(41)42)38-17-15-22-5-4-6-26(27(22)20-38)32(40)37-34-35-28-7-2-3-8-29(28)45-34/h2-14,16,18-19H,15,17,20H2,1H3,(H,41,42)(H,35,37,40)
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| InChIKey |
ALDUXXXGKSMWEL-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