General Information of the Compound
| Compound ID |
CP0968228
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| Compound Name |
3-(5-(1-(naphthalen-1-ylmethyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C29H29N3O3
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| Molecular Weight |
467.569
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5cccc6ccccc56)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C29H29N3O3/c33-27-11-10-26(28(34)30-27)32-18-23-16-21(8-9-25(23)29(32)35)19-12-14-31(15-13-19)17-22-6-3-5-20-4-1-2-7-24(20)22/h1-9,16,19,26H,10-15,17-18H2,(H,30,33,34)
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| InChIKey |
JZKKAUQSCWWMPV-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