General Information of the Compound
| Compound ID |
CP0247277
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| Compound Name |
3-[diphenylphosphoryl(piperidin-1-yl)methyl]pyridine
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| Structure |
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| Formula |
C23H25N2OP
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| Molecular Weight |
376.44
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| Canonical SMILES |
O=P(C(N1CCCCC1)c1cccnc1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C23H25N2OP/c26-27(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23(20-11-10-16-24-19-20)25-17-8-3-9-18-25/h1-2,4-7,10-16,19,23H,3,8-9,17-18H2
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| InChIKey |
QUQHZFNLZWQRPY-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