General Information of the Compound
| Compound ID |
CP0373499
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| Compound Name |
N-(2,4-dichlorophenyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]butanamide
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| Structure |
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| Formula |
C21H25Cl2N3O2
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| Molecular Weight |
422.356
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| Canonical SMILES |
COc1cccc(c1)N1CCN(CCCC(=O)Nc2ccc(Cl)cc2Cl)CC1
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| InChI |
InChI=1S/C21H25Cl2N3O2/c1-28-18-5-2-4-17(15-18)26-12-10-25(11-13-26)9-3-6-21(27)24-20-8-7-16(22)14-19(20)23/h2,4-5,7-8,14-15H,3,6,9-13H2,1H3,(H,24,27)
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| InChIKey |
NNXFXBWZSUTGEA-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