General Information of the Compound
| Compound ID |
CP0091842
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| Compound Name |
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylbutanamide
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| Structure |
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| Formula |
C18H28ClN3O
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| Molecular Weight |
337.895
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| Canonical SMILES |
CCC(C)(C)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H28ClN3O/c1-4-18(2,3)17(23)20-9-10-21-11-13-22(14-12-21)16-7-5-15(19)6-8-16/h5-8H,4,9-14H2,1-3H3,(H,20,23)
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| InChIKey |
XIGWRMXCBASJKN-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