General Information of the Compound
| Compound ID |
CP0422722
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| Compound Name |
N-{1-[(1-cyanocyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
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| Structure |
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| Formula |
C23H28F3N3O2
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| Molecular Weight |
435.49
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| Canonical SMILES |
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC2(CC2)C#N)CC1)C(F)(F)F
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| InChI |
InChI=1S/C23H28F3N3O2/c1-21(31,23(24,25)26)17-4-2-16(3-5-17)20(30)29(18-6-7-18)19-8-12-28(13-9-19)15-22(14-27)10-11-22/h2-5,18-19,31H,6-13,15H2,1H3/t21-/m0/s1
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| InChIKey |
WMPWYZOZCDRMIX-NRFANRHFSA-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