General Information of the Compound
| Compound ID |
CP0551858
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| Compound Name |
N-[[4-[[cyclohexyl(diethoxyphosphoryl)methyl]amino]phenyl]methyl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C29H45N2O4P
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| Molecular Weight |
516.663
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| Canonical SMILES |
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C1CCCCC1
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| InChI |
InChI=1S/C29H45N2O4P/c1-3-34-36(33,35-4-2)27(25-8-6-5-7-9-25)31-26-12-10-21(11-13-26)20-30-28(32)29-17-22-14-23(18-29)16-24(15-22)19-29/h10-13,22-25,27,31H,3-9,14-20H2,1-2H3,(H,30,32)
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| InChIKey |
JZMNTBJDPBSXGR-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