General Information of the Compound
| Compound ID |
CP0951122
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| Compound Name |
3-(1-oxo-5-(1-(pyrimidin-2-ylmethyl)piperidin-4-yl)isoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C23H25N5O3
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| Molecular Weight |
419.485
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5ncccn5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C23H25N5O3/c29-21-5-4-19(22(30)26-21)28-13-17-12-16(2-3-18(17)23(28)31)15-6-10-27(11-7-15)14-20-24-8-1-9-25-20/h1-3,8-9,12,15,19H,4-7,10-11,13-14H2,(H,26,29,30)
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| InChIKey |
DYRNAGDUEBHJDZ-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