General Information of the Compound
| Compound ID |
CP0520789
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| Compound Name |
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-ethyl-4-(2-methylbenzimidazol-1-yl)benzamide
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| Structure |
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| Formula |
C25H30N4O
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| Molecular Weight |
402.542
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| Canonical SMILES |
CCN([C@@H]1CCN(C1)C1CCC1)C(=O)c1ccc(cc1)-n1c(C)nc2ccccc12
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| InChI |
InChI=1S/C25H30N4O/c1-3-28(22-15-16-27(17-22)20-7-6-8-20)25(30)19-11-13-21(14-12-19)29-18(2)26-23-9-4-5-10-24(23)29/h4-5,9-14,20,22H,3,6-8,15-17H2,1-2H3/t22-/m1/s1
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| InChIKey |
NYSLMHQFHWJZAJ-JOCHJYFZSA-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