General Information of the Compound
| Compound ID |
CP0428381
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| Compound Name |
5-[[[(1S)-1-(4-chlorophenyl)ethyl]-(cyclopentylmethyl)amino]methyl]-2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]benzoic acid
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| Structure |
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| Formula |
C28H33ClN2O5
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| Molecular Weight |
513.034
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| Canonical SMILES |
C[C@H](N(CC1CCCC1)Cc1ccc(OCCN2C(=O)CCC2=O)c(c1)C(O)=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H33ClN2O5/c1-19(22-7-9-23(29)10-8-22)30(17-20-4-2-3-5-20)18-21-6-11-25(24(16-21)28(34)35)36-15-14-31-26(32)12-13-27(31)33/h6-11,16,19-20H,2-5,12-15,17-18H2,1H3,(H,34,35)/t19-/m0/s1
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| InChIKey |
FXIKYTHYKDXMQQ-IBGZPJMESA-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