General Information of the Compound
| Compound ID |
CP0504296
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| Compound Name |
N-[[1-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]azetidin-3-yl]-phenylmethyl]acetamide
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| Structure |
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| Formula |
C26H33N3O2
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| Molecular Weight |
419.569
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| Canonical SMILES |
CC(=O)NC(C1CN(C1)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccccc1
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| InChI |
InChI=1S/C26H33N3O2/c1-18-8-7-9-19(2)24(18)26(31)28-14-12-23(13-15-28)29-16-22(17-29)25(27-20(3)30)21-10-5-4-6-11-21/h4-11,22-23,25H,12-17H2,1-3H3,(H,27,30)
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| InChIKey |
CMZXSEAOIFLVLB-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