General Information of the Compound
| Compound ID |
CP0497123
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| Compound Name |
N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C23H26N4O3S
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| Molecular Weight |
438.553
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| Canonical SMILES |
Cc1ccc(CN2CCN(CC2)C(=O)CNS(=O)(=O)c2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C23H26N4O3S/c1-18-5-7-19(8-6-18)17-26-11-13-27(14-12-26)23(28)16-25-31(29,30)22-4-2-3-20-15-24-10-9-21(20)22/h2-10,15,25H,11-14,16-17H2,1H3
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| InChIKey |
NVMMDVVFIGUALN-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