General Information of the Compound
| Compound ID |
CP0393695
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| Compound Name |
4-chloro-2-[(N-piperidin-4-ylanilino)methyl]benzonitrile
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| Structure |
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| Formula |
C19H20ClN3
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| Molecular Weight |
325.843
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| Canonical SMILES |
Clc1ccc(C#N)c(CN(C2CCNCC2)c2ccccc2)c1
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| InChI |
InChI=1S/C19H20ClN3/c20-17-7-6-15(13-21)16(12-17)14-23(18-4-2-1-3-5-18)19-8-10-22-11-9-19/h1-7,12,19,22H,8-11,14H2
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| InChIKey |
RWCCKHBTGXKDKL-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