General Information of the Compound
| Compound ID |
CP0204086
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| Compound Name |
(-)-(R)-2-(3-(1-(1H-pyrazol-1-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
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| Structure |
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| Formula |
C17H21N3S
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| Molecular Weight |
299.443
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| Canonical SMILES |
C[C@H](c1c(CCN(C)C)sc2ccccc12)n1cccn1
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| InChI |
InChI=1S/C17H21N3S/c1-13(20-11-6-10-18-20)17-14-7-4-5-8-15(14)21-16(17)9-12-19(2)3/h4-8,10-11,13H,9,12H2,1-3H3/t13-/m1/s1
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| InChIKey |
DJILKXZJMQURGL-CYBMUJFWSA-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: PT01206, Histamine H1 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2