General Information of the Compound
| Compound ID |
CP0398772
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| Compound Name |
N-[4-(2-cyano-2,2-dimethylethyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
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| Formula |
C24H31F3N2O2
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| Molecular Weight |
436.518
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| Canonical SMILES |
CC(C)(C[C@H]1CC[C@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F)C#N
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| InChI |
InChI=1S/C24H31F3N2O2/c1-22(2,15-28)14-16-4-10-19(11-5-16)29(20-12-13-20)21(30)17-6-8-18(9-7-17)23(3,31)24(25,26)27/h6-9,16,19-20,31H,4-5,10-14H2,1-3H3/t16-,19+,23-/m0/s1
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| InChIKey |
PZBZXZHGYMAIMC-QUZZAMIASA-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