General Information of the Compound
| Compound ID |
CP0535034
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| Compound Name |
4-[[4-[[(2S)-2-(imidazol-1-ylmethyl)-5-oxopyrrolidin-1-yl]methyl]phenoxy]methyl]benzoic acid
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| Structure |
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| Formula |
C23H23N3O4
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| Molecular Weight |
405.454
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| Canonical SMILES |
OC(=O)c1ccc(COc2ccc(CN3[C@H](Cn4ccnc4)CCC3=O)cc2)cc1
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| InChI |
InChI=1S/C23H23N3O4/c27-22-10-7-20(14-25-12-11-24-16-25)26(22)13-17-3-8-21(9-4-17)30-15-18-1-5-19(6-2-18)23(28)29/h1-6,8-9,11-12,16,20H,7,10,13-15H2,(H,28,29)/t20-/m0/s1
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| InChIKey |
MKEVDTVFPGXZGW-FQEVSTJZSA-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