General Information of the Compound
| Compound ID |
CP0408221
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| Compound Name |
2-[5-[3-[3-[(4-chlorophenyl)methoxy]phenoxy]propoxy]-1-[(4-fluorophenyl)methyl]indol-3-yl]acetic acid
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| Structure |
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| Formula |
C33H29ClFNO5
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| Molecular Weight |
574.048
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| Canonical SMILES |
OC(=O)Cc1cn(Cc2ccc(F)cc2)c2ccc(OCCCOc3cccc(OCc4ccc(Cl)cc4)c3)cc12
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| InChI |
InChI=1S/C33H29ClFNO5/c34-26-9-5-24(6-10-26)22-41-29-4-1-3-28(18-29)39-15-2-16-40-30-13-14-32-31(19-30)25(17-33(37)38)21-36(32)20-23-7-11-27(35)12-8-23/h1,3-14,18-19,21H,2,15-17,20,22H2,(H,37,38)
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| InChIKey |
KDMAJXPZGMAVIF-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