General Information of the Compound
| Compound ID |
CP0463230
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| Compound Name |
N-[[4-[[(4-cyanophenyl)-diethoxyphosphorylmethyl]amino]phenyl]methyl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C30H38N3O4P
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| Molecular Weight |
535.625
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| Canonical SMILES |
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C30H38N3O4P/c1-3-36-38(35,37-4-2)28(26-9-5-21(19-31)6-10-26)33-27-11-7-22(8-12-27)20-32-29(34)30-16-23-13-24(17-30)15-25(14-23)18-30/h5-12,23-25,28,33H,3-4,13-18,20H2,1-2H3,(H,32,34)
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| InChIKey |
MBBACNROLZENQG-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