General Information of the Compound
| Compound ID |
CP0440878
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| Compound Name |
4-[5-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
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| Structure |
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| Formula |
C24H27ClN4O3S
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| Molecular Weight |
487.025
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| Canonical SMILES |
Nc1cc(ccn1)N1CCN(CCCCCOc2ccc(cc2)-c2ccc(Cl)cc2)S1(=O)=O
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| InChI |
InChI=1S/C24H27ClN4O3S/c25-21-8-4-19(5-9-21)20-6-10-23(11-7-20)32-17-3-1-2-14-28-15-16-29(33(28,30)31)22-12-13-27-24(26)18-22/h4-13,18H,1-3,14-17H2,(H2,26,27)
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| InChIKey |
ZSMJSYLPPIPRCB-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