General Information of the Compound
| Compound ID |
CP0545624
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| Compound Name |
N-[3-chloro-4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C23H28ClN3O3
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| Molecular Weight |
429.948
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| Canonical SMILES |
COc1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)C)cc1Cl
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| InChI |
InChI=1S/C23H28ClN3O3/c1-23(2,3)22(29)25-16-9-10-19(18(24)15-16)26-11-13-27(14-12-26)21(28)17-7-5-6-8-20(17)30-4/h5-10,15H,11-14H2,1-4H3,(H,25,29)
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| InChIKey |
HFDLRSVGMTZWBX-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