General Information of the Compound
| Compound ID |
CP0931028
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| Compound Name |
(S)-4-(2-(4-((4-((1-benzyl-5-oxopyrrolidine-2-carboxamido)methyl)phenoxy)methyl)benzamido)ethyl)-1H-imidazol-3-ium chloride
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| Structure |
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| Formula |
C32H34ClN5O4
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| Molecular Weight |
588.108
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| Canonical SMILES |
Cl.O=C(NCCc1c[nH]cn1)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C32H33N5O4.ClH/c38-30-15-14-29(37(30)20-24-4-2-1-3-5-24)32(40)35-18-23-8-12-28(13-9-23)41-21-25-6-10-26(11-7-25)31(39)34-17-16-27-19-33-22-36-27;/h1-13,19,22,29H,14-18,20-21H2,(H,33,36)(H,34,39)(H,35,40);1H/t29-;/m0./s1
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| InChIKey |
KUVJAGOTHBHAOZ-JMAPEOGHSA-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