General Information of the Compound
| Compound ID |
CP0922420
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| Compound Name |
trans-N-(4-(cyanomethyl)cyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
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| Formula |
C21H25F3N2O2
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| Molecular Weight |
394.437
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| Canonical SMILES |
C[C@@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@H](CC#N)CC2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H25F3N2O2/c1-20(28,21(22,23)24)16-6-4-15(5-7-16)19(27)26(18-10-11-18)17-8-2-14(3-9-17)12-13-25/h4-7,14,17-18,28H,2-3,8-12H2,1H3/t14-,17-,20-/m1/s1
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| InChIKey |
JBYBWVMBJFXHFH-WIBUTAKZSA-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