General Information of the Compound
| Compound ID |
CP0457260
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| Compound Name |
[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(3-methoxypyridin-2-yl)methanone
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| Structure |
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| Formula |
C22H26N2O3
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| Molecular Weight |
366.461
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| Canonical SMILES |
COc1cccnc1C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O
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| InChI |
InChI=1S/C22H26N2O3/c1-27-20-7-4-10-23-21(20)22(26)15-8-11-24(12-9-15)18-13-16-5-2-3-6-17(16)14-19(18)25/h2-7,10,15,18-19,25H,8-9,11-14H2,1H3/t18-,19-/m1/s1
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| InChIKey |
PMCMBOOIDHLTGJ-RTBURBONSA-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