General Information of the Compound
| Compound ID |
CP0941269
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| Compound Name |
N-(3-(3-(2-(2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)phenyl)benzenesulfonamide
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| Structure |
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| Formula |
C33H29N7O2S
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| Molecular Weight |
587.709
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| Canonical SMILES |
CN1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NS(=O)(=O)c6ccccc6)c5)nc5ccccn45)n3)cc2C1
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| InChI |
InChI=1S/C33H29N7O2S/c1-39-19-16-23-13-14-26(21-25(23)22-39)35-33-34-17-15-29(36-33)32-31(37-30-12-5-6-18-40(30)32)24-8-7-9-27(20-24)38-43(41,42)28-10-3-2-4-11-28/h2-15,17-18,20-21,38H,16,19,22H2,1H3,(H,34,35,36)
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| InChIKey |
SAKZRMKAJKEMKV-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