General Information of the Compound
| Compound ID |
CP0847062
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| Compound Name |
(2S,4S)-4-amino-N-((R)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)pyrrolidine-2-carboxamide dihydrobromide
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| Structure |
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| Formula |
C32H39BrN6O5
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| Molecular Weight |
667.605
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| Canonical SMILES |
Br.NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
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| InChI |
InChI=1S/C32H38N6O5.BrH/c33-23-18-28(38(19-23)32(43)25(34)15-22-11-13-24(39)14-12-22)31(42)37-27(17-21-9-5-2-6-10-21)30(41)36-26(29(35)40)16-20-7-3-1-4-8-20;/h1-14,23,25-28,39H,15-19,33-34H2,(H2,35,40)(H,36,41)(H,37,42);1H/t23-,25-,26-,27+,28-;/m0./s1
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| InChIKey |
SVFJEQPYYYYTQB-IEYMSYQKSA-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