General Information of the Compound
| Compound ID |
CP0529567
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| Compound Name |
N-[2-[[[3-(6-piperidin-4-yloxypyridin-3-yl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C25H28N6O3S
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| Molecular Weight |
492.605
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| Canonical SMILES |
CS(=O)(=O)Nc1ccccc1CNc1ccc2[nH]nc(-c3ccc(OC4CCNCC4)nc3)c2c1
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| InChI |
InChI=1S/C25H28N6O3S/c1-35(32,33)31-22-5-3-2-4-17(22)15-27-19-7-8-23-21(14-19)25(30-29-23)18-6-9-24(28-16-18)34-20-10-12-26-13-11-20/h2-9,14,16,20,26-27,31H,10-13,15H2,1H3,(H,29,30)
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| InChIKey |
CUCCIYZXKNIALL-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