General Information of the Compound
| Compound ID |
CP0238209
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| Compound Name |
4-[4-[(3R)-3-aminopiperidine-1-carbonyl]-1-(6-cyclopropylpyridin-3-yl)-5-methylimidazol-2-yl]-2-fluorobenzonitrile
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| Structure |
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| Formula |
C25H25FN6O
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| Molecular Weight |
444.514
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| Canonical SMILES |
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc(nc1)C1CC1)C(=O)N1CCC[C@@H](N)C1
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| InChI |
InChI=1S/C25H25FN6O/c1-15-23(25(33)31-10-2-3-19(28)14-31)30-24(17-6-7-18(12-27)21(26)11-17)32(15)20-8-9-22(29-13-20)16-4-5-16/h6-9,11,13,16,19H,2-5,10,14,28H2,1H3/t19-/m1/s1
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| InChIKey |
QCEGDJYFMIKMES-LJQANCHMSA-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