General Information of the Compound
Compound ID |
CP0539089
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Compound Name |
Allyl-carbamic acid 4-[(5-fluoro-2-hydroxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester
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Formula |
C24H27FN2O4
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Molecular Weight |
426.488
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Canonical SMILES |
Oc1ccc(F)cc1C(=O)NC[C@]1(CC[C@@H](CC1)OC(=O)NCC=C)c1ccccc1
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InChI |
InChI=1S/C24H27FN2O4/c1-2-14-26-23(30)31-19-10-12-24(13-11-19,17-6-4-3-5-7-17)16-27-22(29)20-15-18(25)8-9-21(20)28/h2-9,15,19,28H,1,10-14,16H2,(H,26,30)(H,27,29)/t19-,24+
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InChIKey |
QMXNMCBRGFCGPH-DQMBHMMVSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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