General Information of the Compound
| Compound ID |
CP0537914
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| Compound Name |
3-(4-((3-(4-butylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ureido)methyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C31H35N3O4
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| Molecular Weight |
513.638
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| Canonical SMILES |
CCCCc1ccc(NC(=O)N(Cc2ccc(cc2)C(=O)NCCC(O)=O)C2Cc3ccccc3C2)cc1
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| InChI |
InChI=1S/C31H35N3O4/c1-2-3-6-22-11-15-27(16-12-22)33-31(38)34(28-19-25-7-4-5-8-26(25)20-28)21-23-9-13-24(14-10-23)30(37)32-18-17-29(35)36/h4-5,7-16,28H,2-3,6,17-21H2,1H3,(H,32,37)(H,33,38)(H,35,36)
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| InChIKey |
RRPXHJYJEJESBN-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