General Information of the Compound
| Compound ID |
CP0500706
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| Compound Name |
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
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| Structure |
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| Formula |
C18H24N2O2
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| Molecular Weight |
300.402
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| Canonical SMILES |
CC(C)(O)CC1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C18H24N2O2/c1-18(2,22)12-13-7-9-20(10-8-13)17(21)16-11-14-5-3-4-6-15(14)19-16/h3-6,11,13,19,22H,7-10,12H2,1-2H3
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| InChIKey |
IINOFUOFXJJMDX-UHFFFAOYSA-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