General Information of the Compound
| Compound ID |
CP0527614
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| Compound Name |
4-[2-[4-(1H-benzimidazol-2-ylamino)piperidin-1-yl]ethyl]benzonitrile
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| Formula |
C21H23N5
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| Molecular Weight |
345.45
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| Canonical SMILES |
N#Cc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3[nH]2)cc1
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| InChI |
InChI=1S/C21H23N5/c22-15-17-7-5-16(6-8-17)9-12-26-13-10-18(11-14-26)23-21-24-19-3-1-2-4-20(19)25-21/h1-8,18H,9-14H2,(H2,23,24,25)
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| InChIKey |
ZUCRYJGOUKKKQG-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