General Information of the Compound
| Compound ID |
CP0425464
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| Compound Name |
N-[3-[3-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C26H30N8O3S
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| Molecular Weight |
534.646
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| Canonical SMILES |
Cc1nc(NCCN2CCOCC2)cc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)n1
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| InChI |
InChI=1S/C26H30N8O3S/c1-19-28-24(27-10-11-34-12-14-37-15-13-34)18-25(29-19)30-26-17-23(31-32-26)20-6-5-7-21(16-20)33-38(35,36)22-8-3-2-4-9-22/h2-9,16-18,33H,10-15H2,1H3,(H3,27,28,29,30,31,32)
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| InChIKey |
WHZMCJZHYNRDAM-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