General Information of the Compound
| Compound ID |
CP0521690
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| Compound Name |
1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypentoxy)-3-methylphenyl]pentan-3-yl]-N-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
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| Structure |
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| Formula |
C33H43F3N2O3
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| Molecular Weight |
572.712
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C33H43F3N2O3/c1-7-31(40,8-2)19-20-41-28-17-15-24(21-23(28)6)32(9-3,10-4)29-18-16-27(38(29)11-5)30(39)37-26-14-12-13-25(22-26)33(34,35)36/h12-18,21-22,40H,7-11,19-20H2,1-6H3,(H,37,39)
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| InChIKey |
XGRHTEUTXYPXND-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