General Information of the Compound
| Compound ID |
CP0207226
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| Compound Name |
3-[3-[(diphenylphosphorylamino)methyl]pyridin-2-yl]benzonitrile
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| Structure |
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| Formula |
C25H20N3OP
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| Molecular Weight |
409.429
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| Canonical SMILES |
O=P(NCc1cccnc1-c1cccc(c1)C#N)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H20N3OP/c26-18-20-9-7-10-21(17-20)25-22(11-8-16-27-25)19-28-30(29,23-12-3-1-4-13-23)24-14-5-2-6-15-24/h1-17H,19H2,(H,28,29)
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| InChIKey |
NDJUXDNSHSEHEC-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