General Information of the Compound
| Compound ID |
CP0367348
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| Compound Name |
2-[3-(3,4-Dichloro-phenoxy)-propyl]-5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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| Structure |
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| Formula |
C21H22Cl2N2O
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| Molecular Weight |
389.326
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| Canonical SMILES |
Cn1c2CCN(CCCOc3ccc(Cl)c(Cl)c3)Cc2c2ccccc12
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| InChI |
InChI=1S/C21H22Cl2N2O/c1-24-20-6-3-2-5-16(20)17-14-25(11-9-21(17)24)10-4-12-26-15-7-8-18(22)19(23)13-15/h2-3,5-8,13H,4,9-12,14H2,1H3
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| InChIKey |
MVJJASJBZKVQAK-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