General Information of the Compound
| Compound ID |
CP0557339
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| Compound Name |
N-[(4-chlorophenyl)methyl]-2-[(1S,2R)-2-piperazin-1-ylcyclopropyl]ethanamine
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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 |
Clc1ccc(CNCC[C@H]2C[C@H]2N2CCNCC2)cc1
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| InChI |
InChI=1S/C16H24ClN3/c17-15-3-1-13(2-4-15)12-19-6-5-14-11-16(14)20-9-7-18-8-10-20/h1-4,14,16,18-19H,5-12H2/t14-,16+/m0/s1
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| InChIKey |
MSYBCGMSCHELMS-GOEBONIOSA-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