General Information of the Compound
| Compound ID |
CP0933712
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| Compound Name |
[(2R,3S,4R)-2-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinolin-3-yl] 4-methylbenzoate
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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 |
Cc1ccc(C(=O)O[C@@H]2[C@H](N3CCCC3)c3ccccc3N[C@@H]2C)cc1
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| InChI |
InChI=1S/C22H26N2O2/c1-15-9-11-17(12-10-15)22(25)26-21-16(2)23-19-8-4-3-7-18(19)20(21)24-13-5-6-14-24/h3-4,7-12,16,20-21,23H,5-6,13-14H2,1-2H3/t16-,20-,21+/m1/s1
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| InChIKey |
XOERYRDAIBYLLQ-HBGVWJBISA-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