General Information of the Compound
| Compound ID |
CP0441058
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| Compound Name |
(4-(4-(3-(dimethylamino)propoxy)benzyl)piperazin-1-yl)(3,4-dichlorophenyl)methanone
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| Structure |
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| Formula |
C23H29Cl2N3O2
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| Molecular Weight |
450.41
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C23H29Cl2N3O2/c1-26(2)10-3-15-30-20-7-4-18(5-8-20)17-27-11-13-28(14-12-27)23(29)19-6-9-21(24)22(25)16-19/h4-9,16H,3,10-15,17H2,1-2H3
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| InChIKey |
RNNPMJNEXTUZEL-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