General Information of the Compound
| Compound ID |
CP0396106
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| Compound Name |
diethyl (2R)-2-[[(2S)-2-[[2-[[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]pentanedioate
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| Structure |
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| Formula |
C29H33F2N3O7
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| Molecular Weight |
573.593
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| Canonical SMILES |
CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)\C=C\c1ccc(F)c(F)c1)C(=O)OCC
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| InChI |
InChI=1S/C29H33F2N3O7/c1-3-40-27(37)15-13-23(29(39)41-4-2)34-28(38)24(17-19-8-6-5-7-9-19)33-26(36)18-32-25(35)14-11-20-10-12-21(30)22(31)16-20/h5-12,14,16,23-24H,3-4,13,15,17-18H2,1-2H3,(H,32,35)(H,33,36)(H,34,38)/b14-11+/t23-,24+/m1/s1
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| InChIKey |
HHSKQFDSINQUAK-UYGCOELJSA-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