General Information of the Compound
| Compound ID |
CP0403554
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| Compound Name |
3-(4-Methoxyphenylsulfonyl)-5-(4-methylpiperazin-1-yl)-1Hindazole
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| Structure |
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| Formula |
C19H22N4O3S
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| Molecular Weight |
386.477
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)c1n[nH]c2ccc(cc12)N1CCN(C)CC1
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| InChI |
InChI=1S/C19H22N4O3S/c1-22-9-11-23(12-10-22)14-3-8-18-17(13-14)19(21-20-18)27(24,25)16-6-4-15(26-2)5-7-16/h3-8,13H,9-12H2,1-2H3,(H,20,21)
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| InChIKey |
PLSDPOYYGFTCMM-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