General Information of the Compound
| Compound ID |
CP0268628
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| Compound Name |
4-[4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(3-fluoro-4-methoxyphenyl)-5-methylimidazol-2-yl]-2-fluorobenzonitrile
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| Structure |
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| Formula |
C24H23F2N5O2
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| Molecular Weight |
451.477
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| Canonical SMILES |
COc1ccc(cc1F)-n1c(C)c(nc1-c1ccc(C#N)c(F)c1)C(=O)N1CCC[C@H](N)C1
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| InChI |
InChI=1S/C24H23F2N5O2/c1-14-22(24(32)30-9-3-4-17(28)13-30)29-23(15-5-6-16(12-27)19(25)10-15)31(14)18-7-8-21(33-2)20(26)11-18/h5-8,10-11,17H,3-4,9,13,28H2,1-2H3/t17-/m0/s1
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| InChIKey |
LBOJAYFPTSAUOO-KRWDZBQOSA-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