General Information of the Compound
| Compound ID |
CP0558013
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| Compound Name |
1-[5-[4-(4-chlorophenyl)phenoxy]pentyl]-4-pyridin-4-ylpiperazine-2,3-dione
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| Structure |
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| Formula |
C26H26ClN3O3
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| Molecular Weight |
463.965
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(OCCCCCN2CCN(C(=O)C2=O)c2ccncc2)cc1
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| InChI |
InChI=1S/C26H26ClN3O3/c27-22-8-4-20(5-9-22)21-6-10-24(11-7-21)33-19-3-1-2-16-29-17-18-30(26(32)25(29)31)23-12-14-28-15-13-23/h4-15H,1-3,16-19H2
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| InChIKey |
NJSKFRDLDKORBN-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