General Information of the Compound
| Compound ID |
CP0518336
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| Compound Name |
2-Methoxy-N-[4-(3-methyl-but-2-enoylamino)-1-phenyl-cyclohexylmethyl]-benzamide
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| Formula |
C26H32N2O3
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| Molecular Weight |
420.553
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| Canonical SMILES |
COc1ccccc1C(=O)NC[C@]1(CC[C@@H](CC1)NC(=O)C=C(C)C)c1ccccc1
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| InChI |
InChI=1S/C26H32N2O3/c1-19(2)17-24(29)28-21-13-15-26(16-14-21,20-9-5-4-6-10-20)18-27-25(30)22-11-7-8-12-23(22)31-3/h4-12,17,21H,13-16,18H2,1-3H3,(H,27,30)(H,28,29)/t21-,26+
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| InChIKey |
XWMBKNKEKPQNSA-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