General Information of the Compound
| Compound ID |
CP0968170
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| Compound Name |
2-[3-(N-Benzyl-N-methylamino)propyl]-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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| Structure |
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| Formula |
C28H31N3
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| Molecular Weight |
409.577
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| Canonical SMILES |
CN(CCCN1CCc2c([nH]c3ccccc23)C1c1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C28H31N3/c1-30(21-22-11-4-2-5-12-22)18-10-19-31-20-17-25-24-15-8-9-16-26(24)29-27(25)28(31)23-13-6-3-7-14-23/h2-9,11-16,28-29H,10,17-21H2,1H3
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| InChIKey |
YGMOUIUWBGYGMW-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