General Information of the Compound
| Compound ID |
CP0379074
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| Compound Name |
N-[2-(4-benzyl-1,4-diazepan-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 |
O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C23H26N4O3S/c28-23(27-13-5-12-26(14-15-27)18-19-6-2-1-3-7-19)17-25-31(29,30)22-9-4-8-20-16-24-11-10-21(20)22/h1-4,6-11,16,25H,5,12-15,17-18H2
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| InChIKey |
ZBWWFYSISOZAKY-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