General Information of the Compound
| Compound ID |
CP0776704
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| Compound Name |
US9266835, 42
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| Structure |
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| Formula |
C28H29ClN4O3S
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| Molecular Weight |
537.085
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CC(CNc2cc(=O)[nH]c3ccc(C(c4ccc(Cl)cc4)c4nccs4)cc23)C1
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| InChI |
InChI=1S/C28H29ClN4O3S/c1-28(2,3)36-27(35)33-15-17(16-33)14-31-23-13-24(34)32-22-9-6-19(12-21(22)23)25(26-30-10-11-37-26)18-4-7-20(29)8-5-18/h4-13,17,25H,14-16H2,1-3H3,(H2,31,32,34)
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| InChIKey |
MNIPANZRLRIDDG-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