General Information of the Compound
| Compound ID |
CP0532500
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| Compound Name |
tert-butyl 4-[[3-[(4-bromophenyl)carbamoylamino]-2-oxopyrrolidin-1-yl]methyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C22H31BrN4O4
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| Molecular Weight |
495.418
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CN2CCC(NC(=O)Nc3ccc(Br)cc3)C2=O)CC1
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| InChI |
InChI=1S/C22H31BrN4O4/c1-22(2,3)31-21(30)26-11-8-15(9-12-26)14-27-13-10-18(19(27)28)25-20(29)24-17-6-4-16(23)5-7-17/h4-7,15,18H,8-14H2,1-3H3,(H2,24,25,29)
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| InChIKey |
CFNVTBXTXSVTDO-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