General Information of the Compound
| Compound ID |
CP0540903
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| Compound Name |
1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
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| Structure |
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| Formula |
C24H33N3O
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| Molecular Weight |
379.548
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| Canonical SMILES |
C[C@@H]1C[C@@H](CN(C1)C(=O)CC1CCN(C)CC1)c1ccc(C)c2ncccc12
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| InChI |
InChI=1S/C24H33N3O/c1-17-13-20(21-7-6-18(2)24-22(21)5-4-10-25-24)16-27(15-17)23(28)14-19-8-11-26(3)12-9-19/h4-7,10,17,19-20H,8-9,11-16H2,1-3H3/t17-,20+/m1/s1
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| InChIKey |
SAROIEHZOPJNAD-XLIONFOSSA-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