General Information of the Compound
| Compound ID |
CP0169407
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| Compound Name |
3-[diphenylphosphoryl(propyl)amino]benzonitrile
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| Structure |
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| Formula |
C22H21N2OP
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| Molecular Weight |
360.397
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| Canonical SMILES |
CCCN(c1cccc(c1)C#N)P(=O)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C22H21N2OP/c1-2-16-24(20-11-9-10-19(17-20)18-23)26(25,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-15,17H,2,16H2,1H3
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| InChIKey |
YVQQXCIARSSGNM-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