General Information of the Compound
| Compound ID |
CP0464874
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| Compound Name |
US9233953, 128
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| Structure |
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| Formula |
C20H23ClN2O3S2
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| Molecular Weight |
439.002
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(C(C1)c1cccs1)C(=O)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C20H23ClN2O3S2/c21-16-3-1-4-17(13-16)22-8-9-23(18(14-22)19-5-2-10-27-19)20(24)15-6-11-28(25,26)12-7-15/h1-5,10,13,15,18H,6-9,11-12,14H2
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| InChIKey |
ZDOYJTFSQDZROR-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