General Information of the Compound
| Compound ID |
CP0458773
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| Compound Name |
4-(benzimidazol-1-ylmethyl)-N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methylbenzamide
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| Structure |
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| Formula |
C24H28N4O
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| Molecular Weight |
388.515
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| Canonical SMILES |
CN([C@@H]1CCN(C1)C1CCC1)C(=O)c1ccc(Cn2cnc3ccccc23)cc1
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| InChI |
InChI=1S/C24H28N4O/c1-26(21-13-14-27(16-21)20-5-4-6-20)24(29)19-11-9-18(10-12-19)15-28-17-25-22-7-2-3-8-23(22)28/h2-3,7-12,17,20-21H,4-6,13-16H2,1H3/t21-/m1/s1
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| InChIKey |
VTAFQCYXZBXCEE-OAQYLSRUSA-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