General Information of the Compound
| Compound ID |
CP0495671
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| Compound Name |
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C19H20N6O3S
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| Molecular Weight |
412.475
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| Canonical SMILES |
O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C19H20N6O3S/c26-18(24-9-11-25(12-10-24)19-21-6-2-7-22-19)14-23-29(27,28)17-4-1-3-15-13-20-8-5-16(15)17/h1-8,13,23H,9-12,14H2
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| InChIKey |
VVRLXSOOICFMLP-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