General Information of the Compound
| Compound ID |
CP0085117
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| Compound Name |
(2S)-2-[4-[(1S)-1-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-2-phenylethyl]triazol-1-yl]-4-methylpentanoic acid
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| Structure |
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| Formula |
C29H37N7O6
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| Molecular Weight |
579.658
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| Canonical SMILES |
CC(C)C[C@@H](C(O)=O)n1cc(nn1)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
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| InChI |
InChI=1S/C29H37N7O6/c1-18(2)12-25(29(41)42)36-17-24(34-35-36)23(14-19-6-4-3-5-7-19)33-27(39)16-31-26(38)15-32-28(40)22(30)13-20-8-10-21(37)11-9-20/h3-11,17-18,22-23,25,37H,12-16,30H2,1-2H3,(H,31,38)(H,32,40)(H,33,39)(H,41,42)/t22-,23-,25-/m0/s1
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| InChIKey |
BGVPEVBAWYDRJD-LSQMVHIFSA-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