General Information of the Compound
| Compound ID |
CP0563896
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| Compound Name |
US8912224, 97
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| Structure |
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| Formula |
C29H31N3O5S
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| Molecular Weight |
533.65
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| Canonical SMILES |
CC(C)Oc1cccc(c1)C1CCc2cc(Oc3ncc(s3)C(=O)NCCc3c(C)noc3C)ccc2O1
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| InChI |
InChI=1S/C29H31N3O5S/c1-17(2)34-22-7-5-6-20(14-22)25-10-8-21-15-23(9-11-26(21)36-25)35-29-31-16-27(38-29)28(33)30-13-12-24-18(3)32-37-19(24)4/h5-7,9,11,14-17,25H,8,10,12-13H2,1-4H3,(H,30,33)
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| InChIKey |
ZMWZBAQGNZESBN-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