General Information of the Compound
| Compound ID |
CP0544182
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| Compound Name |
diethyl (2R)-2-[[(2S)-3-methyl-2-[[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetyl]amino]butanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C26H34F3N3O7
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| Molecular Weight |
557.566
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| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)\C=C\c1ccc(cc1)C(F)(F)F)C(C)C)C(=O)OCC
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| InChI |
InChI=1S/C26H34F3N3O7/c1-5-38-22(35)14-12-19(25(37)39-6-2)31-24(36)23(16(3)4)32-21(34)15-30-20(33)13-9-17-7-10-18(11-8-17)26(27,28)29/h7-11,13,16,19,23H,5-6,12,14-15H2,1-4H3,(H,30,33)(H,31,36)(H,32,34)/b13-9+/t19-,23+/m1/s1
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| InChIKey |
IGTBNUZNLABPCZ-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