General Information of the Compound
| Compound ID |
CP0856357
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| Compound Name |
[(2R,3S,4R)-4-[ethyl(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 |
C22H28N2O3
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| Molecular Weight |
368.477
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| Canonical SMILES |
CCN(CCO)[C@@H]1c2ccccc2N(C(=O)c2ccc(C)cc2)[C@H](C)[C@@H]1O
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| InChI |
InChI=1S/C22H28N2O3/c1-4-23(13-14-25)20-18-7-5-6-8-19(18)24(16(3)21(20)26)22(27)17-11-9-15(2)10-12-17/h5-12,16,20-21,25-26H,4,13-14H2,1-3H3/t16-,20-,21+/m1/s1
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| InChIKey |
IZOARWHJKXCMQB-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