General Information of the Compound
| Compound ID |
CP0430551
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| Compound Name |
Allyl-carbamic acid 4-[(5-fluoro-2-methoxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester
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| Formula |
C25H29FN2O4
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| Molecular Weight |
440.515
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| Canonical SMILES |
COc1ccc(F)cc1C(=O)NC[C@]1(CC[C@@H](CC1)OC(=O)NCC=C)c1ccccc1
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| InChI |
InChI=1S/C25H29FN2O4/c1-3-15-27-24(30)32-20-11-13-25(14-12-20,18-7-5-4-6-8-18)17-28-23(29)21-16-19(26)9-10-22(21)31-2/h3-10,16,20H,1,11-15,17H2,2H3,(H,27,30)(H,28,29)/t20-,25+
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| InChIKey |
VTCKMYVOLGVXOP-IHRKKFBRSA-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