General Information of the Compound
| Compound ID |
CP0544184
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| Compound Name |
diethyl (2R)-2-[[(2S)-2-[[2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C25H34BrN3O7
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| Molecular Weight |
568.465
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| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)\C=C\c1ccc(Br)cc1)C(C)C)C(=O)OCC
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| InChI |
InChI=1S/C25H34BrN3O7/c1-5-35-22(32)14-12-19(25(34)36-6-2)28-24(33)23(16(3)4)29-21(31)15-27-20(30)13-9-17-7-10-18(26)11-8-17/h7-11,13,16,19,23H,5-6,12,14-15H2,1-4H3,(H,27,30)(H,28,33)(H,29,31)/b13-9+/t19-,23+/m1/s1
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| InChIKey |
JZMCNKPLWPXJAR-WKZIBFJNSA-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