General Information of the Compound
| Compound ID |
CP0880359
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| Compound Name |
US9266835, 40
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| Structure |
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| Formula |
C27H29ClN4O3S2
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| Molecular Weight |
557.141
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| Canonical SMILES |
CC(C)S(=O)(=O)N1CCC(Nc2cc(=O)[nH]c3ccc(C(c4ccc(Cl)cc4)c4nccs4)cc23)CC1
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| InChI |
InChI=1S/C27H29ClN4O3S2/c1-17(2)37(34,35)32-12-9-21(10-13-32)30-24-16-25(33)31-23-8-5-19(15-22(23)24)26(27-29-11-14-36-27)18-3-6-20(28)7-4-18/h3-8,11,14-17,21,26H,9-10,12-13H2,1-2H3,(H2,30,31,33)
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| InChIKey |
HPUXGDUEYWCWJU-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