General Information of the Compound
| Compound ID |
CP0428061
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| Compound Name |
(R)-6-Amino-2-[(S)-3-(4-amino-3,5-dibromo-phenyl)-2-(4-phenyl-butyrylamino)-propionylamino]-hexanoic acid phenylamide
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| Structure |
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| Formula |
C31H37Br2N5O3
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| Molecular Weight |
687.477
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| Canonical SMILES |
NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(N)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C31H37Br2N5O3/c32-24-18-22(19-25(33)29(24)35)20-27(37-28(39)16-9-12-21-10-3-1-4-11-21)31(41)38-26(15-7-8-17-34)30(40)36-23-13-5-2-6-14-23/h1-6,10-11,13-14,18-19,26-27H,7-9,12,15-17,20,34-35H2,(H,36,40)(H,37,39)(H,38,41)/t26-,27+/m1/s1
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| InChIKey |
NRAULVYUVFTNJO-SXOMAYOGSA-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