General Information of the Compound
| Compound ID |
CP0519006
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| Compound Name |
N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-1-(4-fluorophenyl)benzimidazole-2-carboxamide
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| Structure |
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| Formula |
C29H30FN5O2
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| Molecular Weight |
499.59
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCNC(=O)c2nc3ccccc3n2-c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C29H30FN5O2/c1-20(36)32-24-6-4-5-22(19-24)21-13-16-34(17-14-21)18-15-31-29(37)28-33-26-7-2-3-8-27(26)35(28)25-11-9-23(30)10-12-25/h2-12,19,21H,13-18H2,1H3,(H,31,37)(H,32,36)
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| InChIKey |
SDERZCOZZNDDDM-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