General Information of the Compound
| Compound ID |
CP0380579
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| Compound Name |
(2R)-2-benzyl-3-[3-[[[4-(2-fluorophenyl)benzoyl]amino]methyl]-4-propoxyphenyl]propanoic acid
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| Structure |
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| Formula |
C33H32FNO4
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| Molecular Weight |
525.62
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| Canonical SMILES |
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)-c1ccccc1F
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| InChI |
InChI=1S/C33H32FNO4/c1-2-18-39-31-17-12-24(20-27(33(37)38)19-23-8-4-3-5-9-23)21-28(31)22-35-32(36)26-15-13-25(14-16-26)29-10-6-7-11-30(29)34/h3-17,21,27H,2,18-20,22H2,1H3,(H,35,36)(H,37,38)/t27-/m1/s1
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| InChIKey |
DBDRFZLCBAYHGL-HHHXNRCGSA-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