General Information of the Compound
| Compound ID |
CP0497839
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| Compound Name |
6-(piperazin-1-yl)-3-(4-(trifluoromethyl)phenylsulfonyl)-1H-indazole
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| Structure |
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| Formula |
C18H17F3N4O2S
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| Molecular Weight |
410.421
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)S(=O)(=O)c1n[nH]c2cc(ccc12)N1CCNCC1
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| InChI |
InChI=1S/C18H17F3N4O2S/c19-18(20,21)12-1-4-14(5-2-12)28(26,27)17-15-6-3-13(11-16(15)23-24-17)25-9-7-22-8-10-25/h1-6,11,22H,7-10H2,(H,23,24)
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| InChIKey |
TVCUXULVTLRXAY-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