General Information of the Compound
| Compound ID |
CP0379331
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| Compound Name |
1-Oxo-1,3-dihydro-isoindole-2-carboxylic acid [1-(3,3-diphenyl-propyl)-piperidin-4-yl]-methyl-amide
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| Structure |
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| Formula |
C30H33N3O2
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| Molecular Weight |
467.613
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| Canonical SMILES |
CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)N1Cc2ccccc2C1=O
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| InChI |
InChI=1S/C30H33N3O2/c1-31(30(35)33-22-25-14-8-9-15-28(25)29(33)34)26-16-19-32(20-17-26)21-18-27(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,26-27H,16-22H2,1H3
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| InChIKey |
VWNCBMHIFGAMEW-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