General Information of the Compound
| Compound ID |
CP0467348
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| Compound Name |
[1-[(2R,3R)-8-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(6-methylpyridin-3-yl)methanone
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| Structure |
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| Formula |
C22H27N3O2
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| Molecular Weight |
365.477
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| Canonical SMILES |
Cc1ccc(cn1)C(=O)C1CCN(CC1)[C@@H]1Cc2c(N)cccc2C[C@H]1O
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| InChI |
InChI=1S/C22H27N3O2/c1-14-5-6-17(13-24-14)22(27)15-7-9-25(10-8-15)20-12-18-16(11-21(20)26)3-2-4-19(18)23/h2-6,13,15,20-21,26H,7-12,23H2,1H3/t20-,21-/m1/s1
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| InChIKey |
NKPJJBNDFZTMMX-NHCUHLMSSA-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