General Information of the Compound
| Compound ID |
CP0231442
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| Compound Name |
5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine
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| Structure |
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| Formula |
C14H18N4O2S
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| Molecular Weight |
306.391
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| Canonical SMILES |
Nc1nccc2c(cccc12)S(=O)(=O)N1CCCNCC1
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| InChI |
InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)
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| InChIKey |
QITCSTCJTLZZMU-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