General Information of the Compound
| Compound ID |
CP0490605
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| Compound Name |
(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
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| Structure |
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| Formula |
C32H45N5O6S
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| Molecular Weight |
627.808
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](N)Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C32H45N5O6S/c1-21(2)17-26(29(39)36-25(32(42)43)15-16-44-4)35-28(38)20-34-30(40)27(19-23-13-9-6-10-14-23)37(3)31(41)24(33)18-22-11-7-5-8-12-22/h5-14,21,24-27H,15-20,33H2,1-4H3,(H,34,40)(H,35,38)(H,36,39)(H,42,43)/t24-,25-,26-,27-/m0/s1
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| InChIKey |
BOIXLFMIFWLQEH-FWEHEUNISA-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