General Information of the Compound
| Compound ID |
CP0095982
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| Compound Name |
2-[3-(4-Methoxy-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 |
C22H26N2O2
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| Molecular Weight |
350.462
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| Canonical SMILES |
COc1ccc(OCCCN2CCc3c(C2)c2ccccc2n3C)cc1
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| InChI |
InChI=1S/C22H26N2O2/c1-23-21-7-4-3-6-19(21)20-16-24(14-12-22(20)23)13-5-15-26-18-10-8-17(25-2)9-11-18/h3-4,6-11H,5,12-16H2,1-2H3
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| InChIKey |
RZKWGELIDXAZFB-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