General Information of the Compound
| Compound ID |
CP0446153
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| Compound Name |
(3S)-3-(4-chloro-3-fluorophenyl)-3-[cyclopentylmethyl-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methylphenyl]methyl]amino]propanoic acid;hydrochloride
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| Structure |
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| Formula |
C29H35Cl2FN2O5
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| Molecular Weight |
581.512
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| Canonical SMILES |
Cl.Cc1cc(CN(CC2CCCC2)[C@@H](CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C29H34ClFN2O5.ClH/c1-19-14-21(6-9-26(19)38-13-12-33-27(34)10-11-28(33)35)18-32(17-20-4-2-3-5-20)25(16-29(36)37)22-7-8-23(30)24(31)15-22;/h6-9,14-15,20,25H,2-5,10-13,16-18H2,1H3,(H,36,37);1H/t25-;/m0./s1
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| InChIKey |
PXHUYTBETIENBY-UQIIZPHYSA-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