General Information of the Compound
| Compound ID |
CP0960543
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| Compound Name |
3-(1-oxo-5-(1-(4-(pyridin-2-ylmethoxy)benzyl)piperidin-4-yl)isoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C31H32N4O4
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| Molecular Weight |
524.621
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc(OCc6ccccn6)cc5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C31H32N4O4/c36-29-11-10-28(30(37)33-29)35-19-24-17-23(6-9-27(24)31(35)38)22-12-15-34(16-13-22)18-21-4-7-26(8-5-21)39-20-25-3-1-2-14-32-25/h1-9,14,17,22,28H,10-13,15-16,18-20H2,(H,33,36,37)
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| InChIKey |
CLOWVMVWZJLOQL-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