General Information of the Compound
| Compound ID |
CP0558712
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| Compound Name |
methyl 4-[[4-[[(2S)-2-(imidazol-1-ylmethyl)-5-oxopyrrolidin-1-yl]methyl]phenoxy]methyl]benzoate
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| Structure |
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| Formula |
C24H25N3O4
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| Molecular Weight |
419.481
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| Canonical SMILES |
COC(=O)c1ccc(COc2ccc(CN3[C@H](Cn4ccnc4)CCC3=O)cc2)cc1
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| InChI |
InChI=1S/C24H25N3O4/c1-30-24(29)20-6-2-19(3-7-20)16-31-22-9-4-18(5-10-22)14-27-21(8-11-23(27)28)15-26-13-12-25-17-26/h2-7,9-10,12-13,17,21H,8,11,14-16H2,1H3/t21-/m0/s1
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| InChIKey |
ISMBEWPNICOVMZ-NRFANRHFSA-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