General Information of the Compound
| Compound ID |
CP0394357
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| Compound Name |
(2-Methyl-allyl)-carbamic acid 4-[(2-methoxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester
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| Formula |
C26H32N2O4
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| Molecular Weight |
436.552
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| Canonical SMILES |
COc1ccccc1C(=O)NC[C@]1(CC[C@@H](CC1)OC(=O)NCC(C)=C)c1ccccc1
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| InChI |
InChI=1S/C26H32N2O4/c1-19(2)17-27-25(30)32-21-13-15-26(16-14-21,20-9-5-4-6-10-20)18-28-24(29)22-11-7-8-12-23(22)31-3/h4-12,21H,1,13-18H2,2-3H3,(H,27,30)(H,28,29)/t21-,26+
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| InChIKey |
DTLWZEDYCSCOCY-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