General Information of the Compound
| Compound ID |
CP0534664
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| Compound Name |
N-[(4-chlorophenyl)methyl]-1-[(1R,2R)-2-(4-methylpiperazin-1-yl)cyclopropyl]methanamine
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| Structure |
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| Formula |
C16H24ClN3
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| Molecular Weight |
293.842
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| Canonical SMILES |
CN1CCN(CC1)[C@@H]1C[C@@H]1CNCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H24ClN3/c1-19-6-8-20(9-7-19)16-10-14(16)12-18-11-13-2-4-15(17)5-3-13/h2-5,14,16,18H,6-12H2,1H3/t14-,16-/m1/s1
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| InChIKey |
POEBZLTYQNQAIO-GDBMZVCRSA-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
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor