General Information of the Compound
| Compound ID |
CP0485927
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| Compound Name |
4-[[[(1R)-1-(4-chlorophenyl)ethyl]-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methoxyphenyl]methyl]amino]methyl]benzoic acid
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| Structure |
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| Formula |
C30H31ClN2O6
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| Molecular Weight |
551.039
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| Canonical SMILES |
COc1cc(CN(Cc2ccc(cc2)C(O)=O)[C@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C30H31ClN2O6/c1-20(23-8-10-25(31)11-9-23)32(18-21-3-6-24(7-4-21)30(36)37)19-22-5-12-26(27(17-22)38-2)39-16-15-33-28(34)13-14-29(33)35/h3-12,17,20H,13-16,18-19H2,1-2H3,(H,36,37)/t20-/m1/s1
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| InChIKey |
DEYHMHZUEVDHBR-HXUWFJFHSA-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