General Information of the Compound
| Compound ID |
CP0915444
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| Compound Name |
(3R,4S)-N-(3,5-bis(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-3-((ethyl(propyl)amino)methyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C28H33F6N3O2
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| Molecular Weight |
557.579
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| Canonical SMILES |
CCCN(CC)C[C@@]1(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN(c2c(C)cccc2C)C(=O)[C@H]1C
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| InChI |
InChI=1S/C28H33F6N3O2/c1-6-11-36(7-2)15-26(16-37(24(38)19(26)5)23-17(3)9-8-10-18(23)4)25(39)35-22-13-20(27(29,30)31)12-21(14-22)28(32,33)34/h8-10,12-14,19H,6-7,11,15-16H2,1-5H3,(H,35,39)/t19-,26-/m1/s1
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| InChIKey |
GJMMOXCPOJNXMP-NIYFSFCBSA-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