General Information of the Compound
| Compound ID |
CP0403709
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| Compound Name |
Benzyl-carbamic acid 4-[(2-methoxy-benzoylamino)-methyl]-4-phenyl-cyclohexyl ester
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| Formula |
C29H32N2O4
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| Molecular Weight |
472.585
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| Canonical SMILES |
COc1ccccc1C(=O)NC[C@@]1(CC[C@@H](CC1)OC(=O)NCc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H32N2O4/c1-34-26-15-9-8-14-25(26)27(32)31-21-29(23-12-6-3-7-13-23)18-16-24(17-19-29)35-28(33)30-20-22-10-4-2-5-11-22/h2-15,24H,16-21H2,1H3,(H,30,33)(H,31,32)/t24-,29-
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| InChIKey |
XGSXBCXWTMSUGA-YLIUREIVSA-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