General Information of the Compound
| Compound ID |
CP0340402
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| Compound Name |
2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
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| Structure |
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| Formula |
C20H22N4O
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| Molecular Weight |
334.423
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| Canonical SMILES |
NC(=O)c1cccc2nc([nH]c12)C1CCN(CCc2ccccc2)C1
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| InChI |
InChI=1S/C20H22N4O/c21-19(25)16-7-4-8-17-18(16)23-20(22-17)15-10-12-24(13-15)11-9-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H2,21,25)(H,22,23)
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| InChIKey |
SXNHZOTZEGGBEB-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