General Information of the Compound
| Compound ID |
CP0311549
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| Compound Name |
(S)-2-(4-ethoxybenzyl)-N,N-diethyl-1-(piperidin-2-ylmethyl)-1H-benzo[d]imidazole-5-carboxamide
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| Structure |
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| Formula |
C27H36N4O2
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| Molecular Weight |
448.611
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| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(ccc3n2C[C@@H]2CCCCN2)C(=O)N(CC)CC)cc1
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| InChI |
InChI=1S/C27H36N4O2/c1-4-30(5-2)27(32)21-12-15-25-24(18-21)29-26(31(25)19-22-9-7-8-16-28-22)17-20-10-13-23(14-11-20)33-6-3/h10-15,18,22,28H,4-9,16-17,19H2,1-3H3/t22-/m0/s1
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| InChIKey |
JOXLFIXMIHXCKT-QFIPXVFZSA-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