General Information of the Compound
| Compound ID |
CP0547998
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| Compound Name |
3-[4-(6-aminopyridin-3-yl)phenyl]-N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]propanamide
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| Structure |
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| Formula |
C25H25N5O3S
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| Molecular Weight |
475.574
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| Canonical SMILES |
Nc1ccc(cn1)-c1ccc(CCC(=O)NCCNS(=O)(=O)c2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C25H25N5O3S/c26-24-10-9-20(17-29-24)19-7-4-18(5-8-19)6-11-25(31)28-14-15-30-34(32,33)23-3-1-2-21-16-27-13-12-22(21)23/h1-5,7-10,12-13,16-17,30H,6,11,14-15H2,(H2,26,29)(H,28,31)
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| InChIKey |
HZBOLJUTBMTYPF-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