General Information of the Compound
| Compound ID |
CP0415845
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| Compound Name |
N-[[4-[[diethoxyphosphoryl(naphthalen-2-yl)methyl]amino]phenyl]methyl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C33H41N2O4P
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| Molecular Weight |
560.675
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| Canonical SMILES |
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C33H41N2O4P/c1-3-38-40(37,39-4-2)31(29-12-11-27-7-5-6-8-28(27)18-29)35-30-13-9-23(10-14-30)22-34-32(36)33-19-24-15-25(20-33)17-26(16-24)21-33/h5-14,18,24-26,31,35H,3-4,15-17,19-22H2,1-2H3,(H,34,36)
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| InChIKey |
NLBZFACKMBWYLS-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