General Information of the Compound
| Compound ID |
CP0869152
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| Compound Name |
(3S,4S)-N-(3,5-bis(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-4-methyl-5-oxo-3-(tetrahydro-2H-pyran-4-yl)pyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C27H28F6N2O3
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| Molecular Weight |
542.52
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| Canonical SMILES |
Cc1cccc(C)c1N1C[C@](C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C2CCOCC2)[C@H](C)C1=O
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| InChI |
InChI=1S/C27H28F6N2O3/c1-15-5-4-6-16(2)22(15)35-14-25(17(3)23(35)36,18-7-9-38-10-8-18)24(37)34-21-12-19(26(28,29)30)11-20(13-21)27(31,32)33/h4-6,11-13,17-18H,7-10,14H2,1-3H3,(H,34,37)/t17-,25-/m1/s1
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| InChIKey |
RCQVVSZSTLKOKV-CRICUBBOSA-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