General Information of the Compound
| Compound ID |
CP0559248
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| Compound Name |
ethyl 4-[4-[3-[N-[(4-fluorophenyl)methyl]-3-phenylanilino]propanoyl]piperazin-1-yl]benzoate
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| Structure |
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| Formula |
C35H36FN3O3
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| Molecular Weight |
565.689
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| Canonical SMILES |
CCOC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CCN(Cc1ccc(F)cc1)c1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C35H36FN3O3/c1-2-42-35(41)29-13-17-32(18-14-29)37-21-23-38(24-22-37)34(40)19-20-39(26-27-11-15-31(36)16-12-27)33-10-6-9-30(25-33)28-7-4-3-5-8-28/h3-18,25H,2,19-24,26H2,1H3
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| InChIKey |
YITQEKGGKJPJEB-UHFFFAOYSA-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