General Information of the Compound
| Compound ID |
CP0941919
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| Compound Name |
(S)-3-(4-Chloro-3-fluoro-phenyl)-3-({4-[2-(2,5-dioxo-pyrrolidin-1-yl)-ethoxy]-3-methylbenzyl}-isobutyl-amino)-propionic acid hydrochloride
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| Structure |
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| Formula |
C27H33Cl2FN2O5
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| Molecular Weight |
555.474
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| Canonical SMILES |
Cc1cc(CN(CC(C)C)[C@@H](CC(=O)O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O.Cl
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| InChI |
InChI=1S/C27H32ClFN2O5.ClH/c1-17(2)15-30(23(14-27(34)35)20-5-6-21(28)22(29)13-20)16-19-4-7-24(18(3)12-19)36-11-10-31-25(32)8-9-26(31)33;/h4-7,12-13,17,23H,8-11,14-16H2,1-3H3,(H,34,35);1H/t23-;/m0./s1
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| InChIKey |
GEJUUVOFYQEFMN-BQAIUKQQSA-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