General Information of the Compound
| Compound ID |
CP0564684
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| Compound Name |
5-[4-[3-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]-3-oxopropyl]phenyl]-N-methylpyridine-2-carboxamide
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| Structure |
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| Formula |
C27H27N5O4S
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| Molecular Weight |
517.611
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| Canonical SMILES |
CNC(=O)c1ccc(cn1)-c1ccc(CCC(=O)NCCNS(=O)(=O)c2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C27H27N5O4S/c1-28-27(34)24-11-10-21(18-31-24)20-8-5-19(6-9-20)7-12-26(33)30-15-16-32-37(35,36)25-4-2-3-22-17-29-14-13-23(22)25/h2-6,8-11,13-14,17-18,32H,7,12,15-16H2,1H3,(H,28,34)(H,30,33)
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| InChIKey |
MRESPYYUDYGGFO-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