General Information of the Compound
| Compound ID |
CP0373490
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| Compound Name |
4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-N-(2,4-dichlorophenyl)butanamide
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| Structure |
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| Formula |
C22H25Cl2N3O3
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| Molecular Weight |
450.366
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| Canonical SMILES |
Clc1ccc(NC(=O)CCCN2CCN(Cc3ccc4OCOc4c3)CC2)c(Cl)c1
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| InChI |
InChI=1S/C22H25Cl2N3O3/c23-17-4-5-19(18(24)13-17)25-22(28)2-1-7-26-8-10-27(11-9-26)14-16-3-6-20-21(12-16)30-15-29-20/h3-6,12-13H,1-2,7-11,14-15H2,(H,25,28)
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| InChIKey |
UZWZRENTPLEXAY-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