General Information of the Compound
| Compound ID |
CP0023875
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| Compound Name |
3-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]-N,N-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C25H28N6O4S
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| Molecular Weight |
508.604
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| Canonical SMILES |
CN(C)S(=O)(=O)c1cccc(c1)-c1cc2c(cnc(N)c2o1)-c1cnn(c1)C1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C25H28N6O4S/c1-16(32)30-9-7-19(8-10-30)31-15-18(13-28-31)22-14-27-25(26)24-21(22)12-23(35-24)17-5-4-6-20(11-17)36(33,34)29(2)3/h4-6,11-15,19H,7-10H2,1-3H3,(H2,26,27)
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| InChIKey |
IPVSKSGPMHYCIY-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