General Information of the Compound
| Compound ID |
CP0490275
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| Compound Name |
Butyl-carbamic acid 4-[(2-methoxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester
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| Formula |
C26H34N2O4
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| Molecular Weight |
438.568
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| Canonical SMILES |
CCCCNC(=O)O[C@H]1CC[C@](CNC(=O)c2ccccc2OC)(CC1)c1ccccc1
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| InChI |
InChI=1S/C26H34N2O4/c1-3-4-18-27-25(30)32-21-14-16-26(17-15-21,20-10-6-5-7-11-20)19-28-24(29)22-12-8-9-13-23(22)31-2/h5-13,21H,3-4,14-19H2,1-2H3,(H,27,30)(H,28,29)/t21-,26+
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| InChIKey |
QGWCCQLWCCPQHO-PGCGBBBBSA-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