General Information of the Compound
| Compound ID |
CP0528698
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| Compound Name |
N-[3-chloro-4-[4-(ethylamino)piperidin-1-yl]phenyl]-2-methyl-2-phenylpropanamide
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| Structure |
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| Formula |
C23H30ClN3O
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| Molecular Weight |
399.966
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| Canonical SMILES |
CCNC1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C23H30ClN3O/c1-4-25-18-12-14-27(15-13-18)21-11-10-19(16-20(21)24)26-22(28)23(2,3)17-8-6-5-7-9-17/h5-11,16,18,25H,4,12-15H2,1-3H3,(H,26,28)
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| InChIKey |
VPQLBQCWPABRAT-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