General Information of the Compound
| Compound ID |
CP0537121
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| Compound Name |
N-[2-[[[3-(6-methoxypyridin-2-yl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C21H21N5O3S
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| Molecular Weight |
423.498
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| Canonical SMILES |
COc1cccc(n1)-c1n[nH]c2ccc(NCc3ccccc3NS(C)(=O)=O)cc12
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| InChI |
InChI=1S/C21H21N5O3S/c1-29-20-9-5-8-19(23-20)21-16-12-15(10-11-18(16)24-25-21)22-13-14-6-3-4-7-17(14)26-30(2,27)28/h3-12,22,26H,13H2,1-2H3,(H,24,25)
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| InChIKey |
JNWMYAQLPNHTTK-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