General Information of the Compound
| Compound ID |
CP0544334
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| Compound Name |
tert-butyl 4-[3-[(4-bromophenyl)carbamoylamino]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C21H29BrN4O4
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| Molecular Weight |
481.391
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N1CCC(NC(=O)Nc2ccc(Br)cc2)C1=O
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| InChI |
InChI=1S/C21H29BrN4O4/c1-21(2,3)30-20(29)25-11-8-16(9-12-25)26-13-10-17(18(26)27)24-19(28)23-15-6-4-14(22)5-7-15/h4-7,16-17H,8-13H2,1-3H3,(H2,23,24,28)
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| InChIKey |
QLWXDBBMLZIYCA-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