General Information of the Compound
| Compound ID |
CP0466785
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| Compound Name |
((1R)-4-(N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamido)-1-(5-fluoropyridin-2-yl)cyclohexyl)methyl carbamate
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| Formula |
C26H29F4N3O4
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| Molecular Weight |
523.527
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| Canonical SMILES |
C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](COC(N)=O)(CC1)c1ccc(F)cn1)C(F)(F)F
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| InChI |
InChI=1S/C26H29F4N3O4/c1-24(36,26(28,29)30)17-4-2-16(3-5-17)22(34)33(19-7-8-19)20-10-12-25(13-11-20,15-37-23(31)35)21-9-6-18(27)14-32-21/h2-6,9,14,19-20,36H,7-8,10-13,15H2,1H3,(H2,31,35)/t20-,24-,25-/m0/s1
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| InChIKey |
DLFDULGVWFEIQL-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