General Information of the Compound
| Compound ID |
CP0454866
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| Compound Name |
5-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-1-ethyl-N-[4-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide
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| Structure |
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| Formula |
C32H39F3N2O4
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| Molecular Weight |
572.668
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C32H39F3N2O4/c1-8-31(9-2,22-11-17-26(21(4)19-22)40-20-28(38)30(5,6)7)27-18-16-25(37(27)10-3)29(39)36-23-12-14-24(15-13-23)41-32(33,34)35/h11-19H,8-10,20H2,1-7H3,(H,36,39)
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| InChIKey |
UJLNNYJBRRDQHP-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