General Information of the Compound
| Compound ID |
CP0439297
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| Compound Name |
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-N,2,2-trimethylpropanamide
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| Structure |
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| Formula |
C23H28ClN3O2
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| Molecular Weight |
413.949
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| Canonical SMILES |
CN(C(=O)C(C)(C)C)c1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1
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| InChI |
InChI=1S/C23H28ClN3O2/c1-23(2,3)22(29)25(4)18-10-11-20(19(24)16-18)26-12-14-27(15-13-26)21(28)17-8-6-5-7-9-17/h5-11,16H,12-15H2,1-4H3
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| InChIKey |
OBKWTJQXEGSJAY-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