General Information of the Compound
| Compound ID |
CP0530756
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| Compound Name |
[1-(3,4-dichlorophenyl)-9-ethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl]-(3-methoxyphenyl)methanone
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| Structure |
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| Formula |
C27H24Cl2N2O2
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| Molecular Weight |
479.407
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| Canonical SMILES |
CCn1c2C(N(CCc2c2ccccc12)C(=O)c1cccc(OC)c1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C27H24Cl2N2O2/c1-3-30-24-10-5-4-9-20(24)21-13-14-31(27(32)18-7-6-8-19(15-18)33-2)25(26(21)30)17-11-12-22(28)23(29)16-17/h4-12,15-16,25H,3,13-14H2,1-2H3
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| InChIKey |
JDEGGXLRMJLZFQ-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