General Information of the Compound
| Compound ID |
CP0539710
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| Compound Name |
US8653100, 167
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| Structure |
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| Formula |
C26H26Cl2N4O3S2
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| Molecular Weight |
577.559
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| Canonical SMILES |
Clc1nc2sccn2c1S(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H26Cl2N4O3S2/c27-19-5-3-18(4-6-19)26(9-1-10-26)22-21-16-20(7-2-17(21)8-11-29-22)35-14-12-30-37(33,34)24-23(28)31-25-32(24)13-15-36-25/h2-7,13,15-16,22,29-30H,1,8-12,14H2
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| InChIKey |
WTRRMIIIWYZWES-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