General Information of the Compound
| Compound ID |
CP0090112
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| Compound Name |
((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamido)-1-(pyridin-2-yl)cyclohexyl)methyl carbamate
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| Formula |
C26H30F3N3O4
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| Molecular Weight |
505.537
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| Canonical SMILES |
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccccn1)C(F)(F)F
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| InChI |
InChI=1S/C26H30F3N3O4/c1-24(35,26(27,28)29)18-7-5-17(6-8-18)22(33)32(19-9-10-19)20-11-13-25(14-12-20,16-36-23(30)34)21-4-2-3-15-31-21/h2-8,15,19-20,35H,9-14,16H2,1H3,(H2,30,34)/t20-,24-,25-/m0/s1
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| InChIKey |
FBUPZUHESVQHAC-OPXMRZJTSA-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