General Information of the Compound
| Compound ID |
CP0452096
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| Compound Name |
3-[(1R,5R)-8-[4-(1,3-dioxoisoindol-2-yl)butyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
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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 |
NC(=O)c1cccc(c1)C1C[C@H]2CC[C@H](C1)N2CCCCN1C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C26H29N3O3/c27-24(30)18-7-5-6-17(14-18)19-15-20-10-11-21(16-19)28(20)12-3-4-13-29-25(31)22-8-1-2-9-23(22)26(29)32/h1-2,5-9,14,19-21H,3-4,10-13,15-16H2,(H2,27,30)/t20-,21-/m1/s1
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| InChIKey |
ZSAABBVZFWEOFF-NHCUHLMSSA-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