General Information of the Compound
| Compound ID |
CP0512862
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| Compound Name |
1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
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| Structure |
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| Formula |
C21H22N2O
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| Molecular Weight |
318.42
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| Canonical SMILES |
COc1ccc(cc1)-c1cn(Cc2ccccc2)c2CCNCc12
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| InChI |
InChI=1S/C21H22N2O/c1-24-18-9-7-17(8-10-18)20-15-23(14-16-5-3-2-4-6-16)21-11-12-22-13-19(20)21/h2-10,15,22H,11-14H2,1H3
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| InChIKey |
FPXVQESPUCSARJ-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