General Information of the Compound
| Compound ID |
CP0873378
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| Compound Name |
(S)-3-(Cyclopropylmethyl-{4-[2-(2,5-dioxo-pyrrolidin-1-yl)-ethoxy]-3-fluoro-benzyl}-amino)-3-(3,4-dichloro-phenyl)-propionic acid hydrochloride
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| Structure |
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| Formula |
C26H28Cl3FN2O5
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| Molecular Weight |
573.876
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| Canonical SMILES |
Cl.O=C(O)C[C@@H](c1ccc(Cl)c(Cl)c1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)CC1CC1
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| InChI |
InChI=1S/C26H27Cl2FN2O5.ClH/c27-19-5-4-18(12-20(19)28)22(13-26(34)35)30(14-16-1-2-16)15-17-3-6-23(21(29)11-17)36-10-9-31-24(32)7-8-25(31)33;/h3-6,11-12,16,22H,1-2,7-10,13-15H2,(H,34,35);1H/t22-;/m0./s1
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| InChIKey |
SBQMSYFIYZWWKW-FTBISJDPSA-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