General Information of the Compound
| Compound ID |
CP0930414
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| Compound Name |
3-(5-Chloro-thiophen-2-yl)-3-({4-[2-(2,5-dioxo-pyrrolidin-1-yl)-ethoxy]-3-methylbenzyl}-propyl-amino)-propionic acid hydrochloride
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| Structure |
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| Formula |
C24H30Cl2N2O5S
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| Molecular Weight |
529.486
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| Canonical SMILES |
CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(=O)O)c1ccc(Cl)s1.Cl
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| InChI |
InChI=1S/C24H29ClN2O5S.ClH/c1-3-10-26(18(14-24(30)31)20-6-7-21(25)33-20)15-17-4-5-19(16(2)13-17)32-12-11-27-22(28)8-9-23(27)29;/h4-7,13,18H,3,8-12,14-15H2,1-2H3,(H,30,31);1H
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| InChIKey |
RKLHMSMWYKVZEP-UHFFFAOYSA-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