General Information of the Compound
| Compound ID |
CP0516033
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| Compound Name |
4-cyclohexylbutyl N-[(2S,3S)-2-methyl-4-oxo-1-[4-(trifluoromethyl)phenoxy]azetidin-3-yl]carbamate
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| Structure |
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| Formula |
C22H29F3N2O4
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| Molecular Weight |
442.478
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| Canonical SMILES |
C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H29F3N2O4/c1-15-19(26-21(29)30-14-6-5-9-16-7-3-2-4-8-16)20(28)27(15)31-18-12-10-17(11-13-18)22(23,24)25/h10-13,15-16,19H,2-9,14H2,1H3,(H,26,29)/t15-,19-/m0/s1
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| InChIKey |
JATMTMYXYRQYOU-KXBFYZLASA-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