General Information of the Compound
| Compound ID |
CP0859266
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| Compound Name |
N-(3-(1-(4-(3-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridine-2-carbonyl)benzyl)piperidin-4-yl)phenyl)acetamide
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| Structure |
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| Formula |
C33H30FN5O2
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| Molecular Weight |
547.634
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| Canonical SMILES |
CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc5cccnc5n4-c4ccc(F)cc4)cc3)CC2)c1
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| InChI |
InChI=1S/C33H30FN5O2/c1-22(40)36-28-5-2-4-26(20-28)24-15-18-38(19-16-24)21-23-7-9-25(10-8-23)31(41)33-37-30-6-3-17-35-32(30)39(33)29-13-11-27(34)12-14-29/h2-14,17,20,24H,15-16,18-19,21H2,1H3,(H,36,40)
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| InChIKey |
PWIWFWREUGTRPM-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