General Information of the Compound
| Compound ID |
CP0869133
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| Compound Name |
(3R,4S)-3-((4,4-difluoropiperidin-1-yl)methyl)-1-(2,6-dimethylphenyl)-N-(3-isopropoxy-5-(trifluoromethyl)phenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C30H36F5N3O3
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| Molecular Weight |
581.626
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN2CCC(F)(F)CC2)(C(=O)Nc2cc(OC(C)C)cc(C(F)(F)F)c2)[C@H](C)C1=O
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| InChI |
InChI=1S/C30H36F5N3O3/c1-18(2)41-24-14-22(30(33,34)35)13-23(15-24)36-27(40)28(16-37-11-9-29(31,32)10-12-37)17-38(26(39)21(28)5)25-19(3)7-6-8-20(25)4/h6-8,13-15,18,21H,9-12,16-17H2,1-5H3,(H,36,40)/t21-,28-/m1/s1
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| InChIKey |
SWNRKUQTTOBWOL-LYZGTLIUSA-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