General Information of the Compound
| Compound ID |
CP0911187
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| Compound Name |
3-(4-Chloro-phenyl)-3-[{4-[2-(2,5-dioxo-pyrrolidin-1-yl)-ethoxy]-3-methyl-benzyl}-(4-fluoro-benzyl)-amino]-propionic acid hydrochloride
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| Structure |
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| Formula |
C30H31Cl2FN2O5
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| Molecular Weight |
589.491
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| Canonical SMILES |
Cc1cc(CN(Cc2ccc(F)cc2)C(CC(=O)O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O.Cl
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| InChI |
InChI=1S/C30H30ClFN2O5.ClH/c1-20-16-22(4-11-27(20)39-15-14-34-28(35)12-13-29(34)36)19-33(18-21-2-9-25(32)10-3-21)26(17-30(37)38)23-5-7-24(31)8-6-23;/h2-11,16,26H,12-15,17-19H2,1H3,(H,37,38);1H
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| InChIKey |
QWRUZIGWDTUOLG-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