General Information of the Compound
| Compound ID |
CP0425017
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| Compound Name |
3-(1-(3-cyanobenzyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
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| Structure |
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| Formula |
C28H28N4O
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| Molecular Weight |
436.559
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| Canonical SMILES |
O=C1NC(CN1C1CCN(Cc2cccc(c2)C#N)CC1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H28N4O/c29-19-22-8-7-9-23(18-22)20-31-16-14-26(15-17-31)32-21-28(30-27(32)33,24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-13,18,26H,14-17,20-21H2,(H,30,33)
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| InChIKey |
QEVOAVBRSZFZGI-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