General Information of the Compound
| Compound ID |
CP0477434
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| Compound Name |
(2R)-2-benzyl-3-[3-[[[4-(4-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)-c1ccc(F)cc1
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| InChI |
InChI=1S/C33H32FNO4/c1-2-18-39-31-17-8-24(20-28(33(37)38)19-23-6-4-3-5-7-23)21-29(31)22-35-32(36)27-11-9-25(10-12-27)26-13-15-30(34)16-14-26/h3-17,21,28H,2,18-20,22H2,1H3,(H,35,36)(H,37,38)/t28-/m1/s1
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| InChIKey |
RSJJIKXMNJSHBD-MUUNZHRXSA-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