General Information of the Compound
| Compound ID |
CP0446254
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| Compound Name |
3-chloro-N-[2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
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| Structure |
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| Formula |
C21H24Cl3N3O2
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| Molecular Weight |
456.801
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| Canonical SMILES |
COc1ccc(cc1Cl)C(=O)NCCN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C21H24Cl3N3O2/c1-29-20-5-3-16(13-19(20)24)21(28)25-6-7-26-8-10-27(11-9-26)14-15-2-4-17(22)18(23)12-15/h2-5,12-13H,6-11,14H2,1H3,(H,25,28)
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| InChIKey |
CBWRUNBHLXXKIT-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