General Information of the Compound
| Compound ID |
CP0424616
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| Compound Name |
diethyl (2R)-2-[[(2S)-2-[[2-[(6-phenyl-1H-indole-2-carbonyl)amino]acetyl]amino]propanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C29H34N4O7
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| Molecular Weight |
550.612
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| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)c1cc2ccc(cc2[nH]1)-c1ccccc1)C(=O)OCC
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| InChI |
InChI=1S/C29H34N4O7/c1-4-39-26(35)14-13-22(29(38)40-5-2)33-27(36)18(3)31-25(34)17-30-28(37)24-16-21-12-11-20(15-23(21)32-24)19-9-7-6-8-10-19/h6-12,15-16,18,22,32H,4-5,13-14,17H2,1-3H3,(H,30,37)(H,31,34)(H,33,36)/t18-,22+/m0/s1
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| InChIKey |
COSLQJTWFNRSPT-PGRDOPGGSA-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