General Information of the Compound
| Compound ID |
CP0528634
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| Compound Name |
3-(3-fluorophenylsulfonyl)-6-(piperazin-1-yl)-1H-indazole
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| Structure |
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| Formula |
C17H17FN4O2S
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| Molecular Weight |
360.414
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| Canonical SMILES |
Fc1cccc(c1)S(=O)(=O)c1n[nH]c2cc(ccc12)N1CCNCC1
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| InChI |
InChI=1S/C17H17FN4O2S/c18-12-2-1-3-14(10-12)25(23,24)17-15-5-4-13(11-16(15)20-21-17)22-8-6-19-7-9-22/h1-5,10-11,19H,6-9H2,(H,20,21)
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| InChIKey |
JHSXVNOCFWEPIU-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