General Information of the Compound
| Compound ID |
CP0867232
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| Compound Name |
SID103060464
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| Structure |
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| Formula |
C26H28Cl2N2O3S
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| Molecular Weight |
519.494
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| Canonical SMILES |
COc1ccc(C(NC(=O)C2CCN(CCOc3ccc(Cl)cc3Cl)CC2)c2cccs2)cc1
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| InChI |
InChI=1S/C26H28Cl2N2O3S/c1-32-21-7-4-18(5-8-21)25(24-3-2-16-34-24)29-26(31)19-10-12-30(13-11-19)14-15-33-23-9-6-20(27)17-22(23)28/h2-9,16-17,19,25H,10-15H2,1H3,(H,29,31)
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| InChIKey |
IRICOWBXTOLKEW-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