General Information of the Compound
| Compound ID |
CP0848199
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| Compound Name |
[(2R,3S,4R)-4-[benzyl(2-hydroxyethyl)amino]-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone
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| Structure |
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| Formula |
C27H30N2O3
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| Molecular Weight |
430.548
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| Canonical SMILES |
Cc1ccc(C(=O)N2c3ccccc3[C@@H](N(CCO)Cc3ccccc3)[C@@H](O)[C@H]2C)cc1
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| InChI |
InChI=1S/C27H30N2O3/c1-19-12-14-22(15-13-19)27(32)29-20(2)26(31)25(23-10-6-7-11-24(23)29)28(16-17-30)18-21-8-4-3-5-9-21/h3-15,20,25-26,30-31H,16-18H2,1-2H3/t20-,25-,26+/m1/s1
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| InChIKey |
UYTHVQOIQGWHAL-VANUSSGQSA-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