General Information of the Compound
| Compound ID |
CP0470832
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| Compound Name |
1-[(1R,2R)-2-(6-chloro-1H-benzimidazol-2-yl)cyclopropyl]-N-[(4-chlorophenyl)methyl]methanamine
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| Structure |
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| Formula |
C18H17Cl2N3
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| Molecular Weight |
346.261
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| Canonical SMILES |
Clc1ccc(CNC[C@@H]2C[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1
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| InChI |
InChI=1S/C18H17Cl2N3/c19-13-3-1-11(2-4-13)9-21-10-12-7-15(12)18-22-16-6-5-14(20)8-17(16)23-18/h1-6,8,12,15,21H,7,9-10H2,(H,22,23)/t12-,15+/m0/s1
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| InChIKey |
QCPROCKSAOSWNY-SWLSCSKDSA-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