General Information of the Compound
| Compound ID |
CP0104575
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| Compound Name |
3-(2-((3-benzylureido)methyl)-4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)propanoic acid
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| Structure |
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| Formula |
C30H31N3O5
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| Molecular Weight |
513.594
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| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(CCC(O)=O)c(CNC(=O)NCc2ccccc2)c1)-c1ccccc1
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| InChI |
InChI=1S/C30H31N3O5/c1-21-27(33-29(38-21)24-10-6-3-7-11-24)16-17-37-26-14-12-23(13-15-28(34)35)25(18-26)20-32-30(36)31-19-22-8-4-2-5-9-22/h2-12,14,18H,13,15-17,19-20H2,1H3,(H,34,35)(H2,31,32,36)
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| InChIKey |
NNNRPKMCCBNBJH-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