General Information of the Compound
| Compound ID |
CP0144822
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| Compound Name |
2-[3-[(4-fluorophenyl)methyl]-1H-inden-2-yl]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C20H22FN
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| Molecular Weight |
295.401
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| Canonical SMILES |
CN(C)CCC1=C(Cc2ccc(F)cc2)c2ccccc2C1
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| InChI |
InChI=1S/C20H22FN/c1-22(2)12-11-17-14-16-5-3-4-6-19(16)20(17)13-15-7-9-18(21)10-8-15/h3-10H,11-14H2,1-2H3
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| InChIKey |
FRXWLMMHSBOBJK-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
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01206, Histamine H1 receptor