General Information of the Compound
| Compound ID |
CP0464625
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| Compound Name |
1-O-[(4-bromophenyl)methyl] 4-O-cyclopentyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
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| Structure |
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| Formula |
C21H28BrNO6
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| Molecular Weight |
470.36
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCC1)C(=O)OCc1ccc(Br)cc1
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| InChI |
InChI=1S/C21H28BrNO6/c1-21(2,3)29-20(26)23-17(12-18(24)28-16-6-4-5-7-16)19(25)27-13-14-8-10-15(22)11-9-14/h8-11,16-17H,4-7,12-13H2,1-3H3,(H,23,26)/t17-/m0/s1
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| InChIKey |
AMVQMVHKSYGMDL-KRWDZBQOSA-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