General Information of the Compound
| Compound ID |
CP0271221
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| Compound Name |
N-(3,4-dichlorophenyl)-4-[(4-ethylpiperazin-2-yl)methyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C18H27Cl2N5O
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| Molecular Weight |
400.354
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| Canonical SMILES |
CCN1CCNC(CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1
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| InChI |
InChI=1S/C18H27Cl2N5O/c1-2-23-6-5-21-15(12-23)13-24-7-9-25(10-8-24)18(26)22-14-3-4-16(19)17(20)11-14/h3-4,11,15,21H,2,5-10,12-13H2,1H3,(H,22,26)
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| InChIKey |
LYVSDTIOGHBKGO-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