General Information of the Compound
| Compound ID |
CP0112143
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| Compound Name |
5-(piperazine-1-sulfonyl)isoquinoline
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| Structure |
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| Formula |
C13H15N3O2S
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| Molecular Weight |
277.349
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| Canonical SMILES |
O=S(=O)(N1CCNCC1)c1cccc2cnccc12
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| InChI |
InChI=1S/C13H15N3O2S/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13/h1-5,10,14H,6-9H2
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| InChIKey |
UPTYCYWTFGTCCG-UHFFFAOYSA-N
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| CAS |
84468-24-6
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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