General Information of the Compound
| Compound ID |
CP0482220
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| Compound Name |
2-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C24H28N2O2
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| Molecular Weight |
376.5
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn(C)c(=O)c2ccccc12
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| InChI |
InChI=1S/C24H28N2O2/c1-18-7-5-14-26(18)15-6-16-28-20-12-10-19(11-13-20)23-17-25(2)24(27)22-9-4-3-8-21(22)23/h3-4,8-13,17-18H,5-7,14-16H2,1-2H3/t18-/m1/s1
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| InChIKey |
RNTBAXMUZAIGMW-GOSISDBHSA-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: PT01173, Histamine H3 receptor