General Information of the Compound
| Compound ID |
CP0031933
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| Compound Name |
2-[2-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]phenyl]acetonitrile
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| Structure |
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| Formula |
C25H24N6O2
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| Molecular Weight |
440.507
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| Canonical SMILES |
CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c2oc(cc12)-c1ccccc1CC#N
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| InChI |
InChI=1S/C25H24N6O2/c1-16(32)30-10-7-19(8-11-30)31-15-18(13-29-31)22-14-28-25(27)24-21(22)12-23(33-24)20-5-3-2-4-17(20)6-9-26/h2-5,12-15,19H,6-8,10-11H2,1H3,(H2,27,28)
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| InChIKey |
PXVURKNFXLGXEF-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