General Information of the Compound
| Compound ID |
CP0492503
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| Compound Name |
US8653100, 85
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| Structure |
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| Formula |
C25H26ClN3O3S
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| Molecular Weight |
484.021
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| Canonical SMILES |
Clc1ccc(cc1)C1(CC1)C1NCCc2ccc(OCCNS(=O)(=O)c3cccnc3)cc12
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| InChI |
InChI=1S/C25H26ClN3O3S/c26-20-6-4-19(5-7-20)25(10-11-25)24-23-16-21(8-3-18(23)9-13-28-24)32-15-14-29-33(30,31)22-2-1-12-27-17-22/h1-8,12,16-17,24,28-29H,9-11,13-15H2
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| InChIKey |
UDWVXUCBZSIEOQ-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