General Information of the Compound
| Compound ID |
CP0965603
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| Compound Name |
3-(5-((S)-1-benzylazepan-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C26H29N3O3
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| Molecular Weight |
431.536
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| Canonical SMILES |
O=C1CCC(N2Cc3cc([C@H]4CCCN(Cc5ccccc5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C26H29N3O3/c30-24-11-10-23(25(31)27-24)29-17-21-15-20(8-9-22(21)26(29)32)19-7-4-13-28(14-12-19)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,19,23H,4,7,10-14,16-17H2,(H,27,30,31)/t19-,23?/m0/s1
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| InChIKey |
KAJNVQAGLMPGCW-HSTJUUNISA-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