General Information of the Compound
| Compound ID |
CP0968027
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| Compound Name |
3-(1-oxo-5-(1-((1-phenyl-1H-pyrazol-5-yl)methyl)piperidin-4-yl)isoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C28H29N5O3
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| Molecular Weight |
483.572
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5ccnn5-c5ccccc5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C28H29N5O3/c34-26-9-8-25(27(35)30-26)32-17-21-16-20(6-7-24(21)28(32)36)19-11-14-31(15-12-19)18-23-10-13-29-33(23)22-4-2-1-3-5-22/h1-7,10,13,16,19,25H,8-9,11-12,14-15,17-18H2,(H,30,34,35)
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| InChIKey |
DQUWKKBOYUGHKH-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