General Information of the Compound
| Compound ID |
CP0369951
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| Compound Name |
2-(1,3-dioxoisoindol-2-yl)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C29H30ClN3O3
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| Molecular Weight |
504.03
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| Canonical SMILES |
Cl.O=C(CN1C(=O)c2ccccc2C1=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C29H29N3O3/c33-27(21-31-28(34)25-13-7-8-14-26(25)29(31)35)32(23-11-5-2-6-12-23)24-16-19-30(20-17-24)18-15-22-9-3-1-4-10-22/h1-14,24H,15-21H2
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| InChIKey |
TZHRPPAWFBZUEC-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