General Information of the Compound
| Compound ID |
CP0405879
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| Compound Name |
US9464076, 115
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| Structure |
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| Formula |
C27H25N3O5S
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| Molecular Weight |
503.58
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| Canonical SMILES |
COC1CN(C1)C(=O)c1cccc2nc(NC(=O)c3sc4c(ccc(CO)c4c3C)C(C)=O)ccc12
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| InChI |
InChI=1S/C27H25N3O5S/c1-14-23-16(13-31)7-8-18(15(2)32)25(23)36-24(14)26(33)29-22-10-9-19-20(5-4-6-21(19)28-22)27(34)30-11-17(12-30)35-3/h4-10,17,31H,11-13H2,1-3H3,(H,28,29,33)
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| InChIKey |
DOYMFZZODDIBAZ-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