General Information of the Compound
| Compound ID |
CP0573092
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| Compound Name |
N-[2-(isoquinolin-5-ylsulfonylamino)ethyl]-3-(4-pyridin-3-ylphenyl)propanamide
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| Structure |
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| Formula |
C25H24N4O3S
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| Molecular Weight |
460.559
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| Canonical SMILES |
O=C(CCc1ccc(cc1)-c1cccnc1)NCCNS(=O)(=O)c1cccc2cnccc12
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| InChI |
InChI=1S/C25H24N4O3S/c30-25(11-8-19-6-9-20(10-7-19)21-4-2-13-26-17-21)28-15-16-29-33(31,32)24-5-1-3-22-18-27-14-12-23(22)24/h1-7,9-10,12-14,17-18,29H,8,11,15-16H2,(H,28,30)
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| InChIKey |
GDVCEYJQDDFHPE-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