General Information of the Compound
| Compound ID |
CP0481809
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| Compound Name |
1-[(1R,2S)-2-(5-chloro-1H-indol-2-yl)cyclopropyl]-N-[(4-chlorophenyl)methyl]methanamine
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| Structure |
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| Formula |
C19H18Cl2N2
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| Molecular Weight |
345.273
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| Canonical SMILES |
Clc1ccc(CNC[C@@H]2C[C@@H]2c2cc3cc(Cl)ccc3[nH]2)cc1
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| InChI |
InChI=1S/C19H18Cl2N2/c20-15-3-1-12(2-4-15)10-22-11-14-8-17(14)19-9-13-7-16(21)5-6-18(13)23-19/h1-7,9,14,17,22-23H,8,10-11H2/t14-,17-/m0/s1
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| InChIKey |
OCGHQROZTRFTIX-YOEHRIQHSA-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