General Information of the Compound
| Compound ID |
CP0568030
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| Compound Name |
diethyl (2R)-2-[[(2S)-3-methyl-2-[[2-[[(E)-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]acetyl]amino]butanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C28H41N3O8
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| Molecular Weight |
547.649
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| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)\C=C\c1ccc(OC(C)C)cc1)C(C)C)C(=O)OCC
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| InChI |
InChI=1S/C28H41N3O8/c1-7-37-25(34)16-14-22(28(36)38-8-2)30-27(35)26(18(3)4)31-24(33)17-29-23(32)15-11-20-9-12-21(13-10-20)39-19(5)6/h9-13,15,18-19,22,26H,7-8,14,16-17H2,1-6H3,(H,29,32)(H,30,35)(H,31,33)/b15-11+/t22-,26+/m1/s1
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| InChIKey |
XDKHMUMLLKYJBQ-SBJGAUOOSA-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