General Information of the Compound
| Compound ID |
CP0494211
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| Compound Name |
5-O-benzyl 1-O-methyl (2S)-2-[[2-[[2-oxo-2-[(2S)-1-[2-(quinoline-4-carbonylamino)acetyl]pyrrolidin-2-yl]acetyl]amino]acetyl]amino]pentanedioate
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| Formula |
C33H35N5O9
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| Molecular Weight |
645.669
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| Canonical SMILES |
COC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)CNC(=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
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| InChI |
InChI=1S/C33H35N5O9/c1-46-33(45)25(13-14-29(41)47-20-21-8-3-2-4-9-21)37-27(39)18-35-32(44)30(42)26-12-7-17-38(26)28(40)19-36-31(43)23-15-16-34-24-11-6-5-10-22(23)24/h2-6,8-11,15-16,25-26H,7,12-14,17-20H2,1H3,(H,35,44)(H,36,43)(H,37,39)/t25-,26-/m0/s1
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| InChIKey |
IISWHZMRRJGSCR-UIOOFZCWSA-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