General Information of the Compound
| Compound ID |
CP0452612
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| Compound Name |
N-[4-[[[2-(1-adamantyl)acetyl]amino]methyl]phenyl]-N'-methoxy-N'-methyloxamide
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| Structure |
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| Formula |
C23H31N3O4
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| Molecular Weight |
413.518
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| Canonical SMILES |
CON(C)C(=O)C(=O)Nc1ccc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
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| InChI |
InChI=1S/C23H31N3O4/c1-26(30-2)22(29)21(28)25-19-5-3-15(4-6-19)14-24-20(27)13-23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,16-18H,7-14H2,1-2H3,(H,24,27)(H,25,28)
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| InChIKey |
VEJQRFGTGZEBGN-UHFFFAOYSA-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