General Information of the Compound
| Compound ID |
CP0535757
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| Compound Name |
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C34H51N7O8S
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| Molecular Weight |
717.89
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C34H51N7O8S/c1-22(42)37-24(12-6-7-16-35)30(44)36-21-29(43)40-17-8-13-27(40)31(45)38-25(15-19-50-2)33(47)41-18-9-14-28(41)32(46)39-26(34(48)49)20-23-10-4-3-5-11-23/h3-5,10-11,24-28H,6-9,12-21,35H2,1-2H3,(H,36,44)(H,37,42)(H,38,45)(H,39,46)(H,48,49)/t24-,25-,26-,27-,28-/m0/s1
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| InChIKey |
XDFXJKZVRYQHKT-XLIKFSOKSA-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