General Information of the Compound
| Compound ID |
CP0445989
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| Compound Name |
2-[1-[2-(m-tolylamino)allyl]piperidin-4-yl]benzonitrile
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| Structure |
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| Formula |
C21H23N3O
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| Molecular Weight |
333.435
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| Canonical SMILES |
Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccc2C#N)c1
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| InChI |
InChI=1S/C21H23N3O/c1-16-5-4-7-19(13-16)23-21(25)15-24-11-9-17(10-12-24)20-8-3-2-6-18(20)14-22/h2-8,13,17H,9-12,15H2,1H3,(H,23,25)
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| InChIKey |
QYZNMIXMUJRKLL-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