General Information of the Compound
| Compound ID |
CP0531725
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| Compound Name |
2-benzyl-1-(3,4-dichlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
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| Structure |
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| Formula |
C24H20Cl2N2
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| Molecular Weight |
407.344
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1N(Cc2ccccc2)CCc2c1[nH]c1ccccc21
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| InChI |
InChI=1S/C24H20Cl2N2/c25-20-11-10-17(14-21(20)26)24-23-19(18-8-4-5-9-22(18)27-23)12-13-28(24)15-16-6-2-1-3-7-16/h1-11,14,24,27H,12-13,15H2
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| InChIKey |
SSDAREKBNWSBBZ-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