General Information of the Compound
| Compound ID |
CP0428129
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| Compound Name |
3-(4-((1-(heptan-3-yl)-3-(4-(trifluoromethoxy)phenyl)ureido)methyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C26H32F3N3O5
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| Molecular Weight |
523.552
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| Canonical SMILES |
CCCCC(CC)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C26H32F3N3O5/c1-3-5-6-21(4-2)32(25(36)31-20-11-13-22(14-12-20)37-26(27,28)29)17-18-7-9-19(10-8-18)24(35)30-16-15-23(33)34/h7-14,21H,3-6,15-17H2,1-2H3,(H,30,35)(H,31,36)(H,33,34)
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| InChIKey |
BDIVWXZQXHNQRQ-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