General Information of the Compound
| Compound ID |
CP0094025
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| Compound Name |
(5-chloro-1-methylindol-2-yl)-[6-[(dimethylamino)methyl]-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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| Structure |
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| Formula |
C23H26ClN3O
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| Molecular Weight |
395.934
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| Canonical SMILES |
CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C
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| InChI |
InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3
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| InChIKey |
CKRWGBKIBACFNV-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: PT04076, Potassium voltage-gated channel subfamily E member 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT05331, Pyroglutamylated RF-amide peptide receptor
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha