General Information of the Compound
| Compound ID |
CP0446429
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| Compound Name |
[1-(3,4-dichlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-naphthalen-1-ylmethanone
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| Structure |
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| Formula |
C28H20Cl2N2O
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| Molecular Weight |
471.387
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1N(CCc2c1[nH]c1ccccc21)C(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C28H20Cl2N2O/c29-23-13-12-18(16-24(23)30)27-26-21(20-9-3-4-11-25(20)31-26)14-15-32(27)28(33)22-10-5-7-17-6-1-2-8-19(17)22/h1-13,16,27,31H,14-15H2
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| InChIKey |
MCGLJGGVMKMICF-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