General Information of the Compound
| Compound ID |
CP0537047
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| Compound Name |
US8912224, 323
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| Structure |
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| Formula |
C28H29N3O4S
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| Molecular Weight |
503.624
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| Canonical SMILES |
CCc1ccccc1C1CCc2cc(Oc3ncc(s3)C(=O)NCCc3c(C)noc3C)ccc2O1
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| InChI |
InChI=1S/C28H29N3O4S/c1-4-19-7-5-6-8-23(19)25-11-9-20-15-21(10-12-24(20)34-25)33-28-30-16-26(36-28)27(32)29-14-13-22-17(2)31-35-18(22)3/h5-8,10,12,15-16,25H,4,9,11,13-14H2,1-3H3,(H,29,32)
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| InChIKey |
KBNRRKXLUCPEBZ-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