General Information of the Compound
| Compound ID |
CP0511586
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| Compound Name |
4-(benzimidazol-1-ylmethyl)-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methylbenzamide
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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 |
CN([C@@H]1CCN(C1)C1CCCC1)C(=O)c1ccc(Cn2cnc3ccccc23)cc1
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| InChI |
InChI=1S/C25H30N4O/c1-27(22-14-15-28(17-22)21-6-2-3-7-21)25(30)20-12-10-19(11-13-20)16-29-18-26-23-8-4-5-9-24(23)29/h4-5,8-13,18,21-22H,2-3,6-7,14-17H2,1H3/t22-/m1/s1
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| InChIKey |
SFTGLKQVBHRCCN-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