General Information of the Compound
| Compound ID |
CP0940000
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| Compound Name |
(S)-4-(2-(4-((4-((1-(4-fluorobenzyl)-5-oxopyrrolidine-2-carboxamido)methyl)phenoxy)methyl)benzamido)ethyl)-1H-imidazol-3-ium chloride
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| Structure |
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| Formula |
C32H33ClFN5O4
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| Molecular Weight |
606.098
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| Canonical SMILES |
Cl.O=C(NCCc1c[nH]cn1)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccc(F)cc3)cc2)cc1
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| InChI |
InChI=1S/C32H32FN5O4.ClH/c33-26-9-3-23(4-10-26)19-38-29(13-14-30(38)39)32(41)36-17-22-5-11-28(12-6-22)42-20-24-1-7-25(8-2-24)31(40)35-16-15-27-18-34-21-37-27;/h1-12,18,21,29H,13-17,19-20H2,(H,34,37)(H,35,40)(H,36,41);1H/t29-;/m0./s1
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| InChIKey |
WUDFWTVKHJUQRC-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