General Information of the Compound
| Compound ID |
CP0380580
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| Compound Name |
(2R)-2-benzyl-3-[4-propoxy-3-[[(4-thiophen-2-ylbenzoyl)amino]methyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C31H31NO4S
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| Molecular Weight |
513.659
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| Canonical SMILES |
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)-c1cccs1
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| InChI |
InChI=1S/C31H31NO4S/c1-2-16-36-28-15-10-23(19-26(31(34)35)18-22-7-4-3-5-8-22)20-27(28)21-32-30(33)25-13-11-24(12-14-25)29-9-6-17-37-29/h3-15,17,20,26H,2,16,18-19,21H2,1H3,(H,32,33)(H,34,35)/t26-/m1/s1
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| InChIKey |
CUZASPYQOLPJNO-AREMUKBSSA-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