General Information of the Compound
| Compound ID |
CP0555343
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| Compound Name |
US8653100, 116
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| Structure |
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| Formula |
C29H27ClN2O3S2
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| Molecular Weight |
551.133
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(Oc3ccccc3NS(=O)(=O)c3cccs3)cc12
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| InChI |
InChI=1S/C29H27ClN2O3S2/c30-22-11-9-21(10-12-22)29(15-4-16-29)28-24-19-23(13-8-20(24)14-17-31-28)35-26-6-2-1-5-25(26)32-37(33,34)27-7-3-18-36-27/h1-3,5-13,18-19,28,31-32H,4,14-17H2
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| InChIKey |
DHBSYMPIHMECRP-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