General Information of the Compound
| Compound ID |
CP0466037
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| Compound Name |
4-[3-(3-Acetyl-phenyl)-ureido]-3-[4-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-benzoic acid methyl ester
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| Structure |
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| Formula |
C30H32FN3O4
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| Molecular Weight |
517.601
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| Canonical SMILES |
COC(=O)c1ccc(NC(=O)Nc2cccc(c2)C(C)=O)c(CN2CCC(Cc3ccc(F)cc3)CC2)c1
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| InChI |
InChI=1S/C30H32FN3O4/c1-20(35)23-4-3-5-27(18-23)32-30(37)33-28-11-8-24(29(36)38-2)17-25(28)19-34-14-12-22(13-15-34)16-21-6-9-26(31)10-7-21/h3-11,17-18,22H,12-16,19H2,1-2H3,(H2,32,33,37)
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| InChIKey |
HVDRJOSWHPOEEN-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