General Information of the Compound
| Compound ID |
CP0961101
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| Compound Name |
(3R,4S)-3-(azetidin-1-ylmethyl)-N-(3,5-bis(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C26H27F6N3O2
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| Molecular Weight |
527.509
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@@](CN2CCC2)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O
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| InChI |
InChI=1S/C26H27F6N3O2/c1-15-6-4-7-16(2)21(15)35-14-24(17(3)22(35)36,13-34-8-5-9-34)23(37)33-20-11-18(25(27,28)29)10-19(12-20)26(30,31)32/h4,6-7,10-12,17H,5,8-9,13-14H2,1-3H3,(H,33,37)/t17-,24-/m1/s1
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| InChIKey |
PVWORILHRQIIRV-MZNJEOGPSA-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