General Information of the Compound
| Compound ID |
CP0403974
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| Compound Name |
[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(1-methylpyrrol-3-yl)methanone
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| Structure |
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| Formula |
C21H26N2O2
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| Molecular Weight |
338.451
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| Canonical SMILES |
Cn1ccc(c1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O
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| InChI |
InChI=1S/C21H26N2O2/c1-22-9-6-18(14-22)21(25)15-7-10-23(11-8-15)19-12-16-4-2-3-5-17(16)13-20(19)24/h2-6,9,14-15,19-20,24H,7-8,10-13H2,1H3/t19-,20-/m1/s1
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| InChIKey |
VEXGYOSSYSYAOR-WOJBJXKFSA-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