General Information of the Compound
| Compound ID |
CP0956202
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| Compound Name |
2-[3-(N-Methyl-N-phenylethylamino)propyl]-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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| Structure |
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| Formula |
C29H33N3
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| Molecular Weight |
423.604
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| Canonical SMILES |
CN(CCCN1CCc2c([nH]c3ccccc23)C1c1ccccc1)CCc1ccccc1
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| InChI |
InChI=1S/C29H33N3/c1-31(21-17-23-11-4-2-5-12-23)19-10-20-32-22-18-26-25-15-8-9-16-27(25)30-28(26)29(32)24-13-6-3-7-14-24/h2-9,11-16,29-30H,10,17-22H2,1H3
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| InChIKey |
VTCDQYAWFPIBBB-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