General Information of the Compound
| Compound ID |
CP0548668
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| Compound Name |
[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methanamine
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| Structure |
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| Formula |
C13H18Cl2N2
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| Molecular Weight |
273.207
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| Canonical SMILES |
NCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C13H18Cl2N2/c14-12-2-1-11(7-13(12)15)9-17-5-3-10(8-16)4-6-17/h1-2,7,10H,3-6,8-9,16H2
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| InChIKey |
UBIHINRVQFQDQN-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