General Information of the Compound
| Compound ID |
CP0514176
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| Compound Name |
3-[Methyl-(4''-trifluoromethyl-biphenyl-4-carbonyl)-amino]-pyrrolidine-1-carboxylic acid (1-butyl-pyrrolidin-3-yl)-methyl-amide
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| Structure |
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| Formula |
C29H37F3N4O2
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| Molecular Weight |
530.635
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| Canonical SMILES |
CCCCN1CCC(C1)N(C)C(=O)N1CCC(C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H37F3N4O2/c1-4-5-16-35-17-14-25(19-35)34(3)28(38)36-18-15-26(20-36)33(2)27(37)23-8-6-21(7-9-23)22-10-12-24(13-11-22)29(30,31)32/h6-13,25-26H,4-5,14-20H2,1-3H3
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| InChIKey |
UTAPFVCSIYSFAD-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