General Information of the Compound
| Compound ID |
CP0560679
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| Compound Name |
US8653100, 22
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| Structure |
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| Formula |
C28H28ClN3O4S2
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| Molecular Weight |
570.136
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(OCCNS(=O)(=O)c3ccc(s3)-c3ccon3)cc12
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| InChI |
InChI=1S/C28H28ClN3O4S2/c29-21-5-3-20(4-6-21)28(12-1-13-28)27-23-18-22(7-2-19(23)10-14-30-27)35-17-15-31-38(33,34)26-9-8-25(37-26)24-11-16-36-32-24/h2-9,11,16,18,27,30-31H,1,10,12-15,17H2
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| InChIKey |
GPDOJVVKIPKXNK-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