General Information of the Compound
| Compound ID |
CP0446425
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| Compound Name |
[1-(4-bromophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-chlorophenyl)methanone
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| Structure |
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| Formula |
C24H18BrClN2O
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| Molecular Weight |
465.778
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc(Br)cc1
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| InChI |
InChI=1S/C24H18BrClN2O/c25-17-9-5-15(6-10-17)23-22-20(19-3-1-2-4-21(19)27-22)13-14-28(23)24(29)16-7-11-18(26)12-8-16/h1-12,23,27H,13-14H2
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| InChIKey |
VYDLZLHCQFQQKH-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