General Information of the Compound
| Compound ID |
CP0951101
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| Compound Name |
2-(4-((4-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-5-yl)piperidin-1-yl)methyl)phenyl)acetic acid
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| Structure |
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| Formula |
C27H29N3O5
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| Molecular Weight |
475.545
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| Canonical SMILES |
O=C(O)Cc1ccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)cc1
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| InChI |
InChI=1S/C27H29N3O5/c31-24-8-7-23(26(34)28-24)30-16-21-14-20(5-6-22(21)27(30)35)19-9-11-29(12-10-19)15-18-3-1-17(2-4-18)13-25(32)33/h1-6,14,19,23H,7-13,15-16H2,(H,32,33)(H,28,31,34)
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| InChIKey |
ARHYWQBGKCRXLX-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