General Information of the Compound
| Compound ID |
CP0188303
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| Compound Name |
N-[diphenylphosphoryl(pyridin-3-yl)methyl]propan-1-amine
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| Structure |
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| Formula |
C21H23N2OP
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| Molecular Weight |
350.402
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| Canonical SMILES |
CCCNC(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C21H23N2OP/c1-2-15-23-21(18-10-9-16-22-17-18)25(24,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-14,16-17,21,23H,2,15H2,1H3
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| InChIKey |
ARFLILSZBOWHGT-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