General Information of the Compound
| Compound ID |
CP0914946
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| Compound Name |
trans-N-(4-(3-amino-3-oxopropyl)cyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
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| Formula |
C22H29F3N2O3
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| Molecular Weight |
426.479
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| Canonical SMILES |
C[C@@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@H](CCC(N)=O)CC2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H29F3N2O3/c1-21(30,22(23,24)25)16-7-5-15(6-8-16)20(29)27(18-11-12-18)17-9-2-14(3-10-17)4-13-19(26)28/h5-8,14,17-18,30H,2-4,9-13H2,1H3,(H2,26,28)/t14-,17-,21-/m1/s1
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| InChIKey |
PASMOZGIQBLURM-SOIKWTOOSA-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