General Information of the Compound
| Compound ID |
CP0549644
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| Compound Name |
1-benzyl-3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
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| Structure |
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| Formula |
C24H28N2
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| Molecular Weight |
344.502
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1cn(Cc2ccccc2)c2CCNCc12
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| InChI |
InChI=1S/C24H28N2/c1-24(2,3)20-11-9-19(10-12-20)22-17-26(16-18-7-5-4-6-8-18)23-13-14-25-15-21(22)23/h4-12,17,25H,13-16H2,1-3H3
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| InChIKey |
SEURAVYEJIWUDB-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