General Information of the Compound
| Compound ID |
CP0332577
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| Compound Name |
N-(3,4-dichlorophenyl)-4-[[(3R)-1-ethylpiperidin-3-yl]methyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C19H28Cl2N4O
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| Molecular Weight |
399.366
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| Canonical SMILES |
CCN1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1
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| InChI |
InChI=1S/C19H28Cl2N4O/c1-2-23-7-3-4-15(13-23)14-24-8-10-25(11-9-24)19(26)22-16-5-6-17(20)18(21)12-16/h5-6,12,15H,2-4,7-11,13-14H2,1H3,(H,22,26)/t15-/m1/s1
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| InChIKey |
MLZKBOIYCFMLEI-OAHLLOKOSA-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