General Information of the Compound
| Compound ID |
CP0488015
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| Compound Name |
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
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| Structure |
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| Formula |
C12H18Cl2N2
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| Molecular Weight |
261.196
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| Canonical SMILES |
CN(C)CCCNCc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C12H18Cl2N2/c1-16(2)7-3-6-15-9-10-4-5-11(13)12(14)8-10/h4-5,8,15H,3,6-7,9H2,1-2H3
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| InChIKey |
FIGFDBVBDYLQFP-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