General Information of the Compound
| Compound ID |
CP0522012
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| Compound Name |
5-(4-methoxyphenylsulfonyl)-3-(1-methylpiperidin-4-yl)-1H-indazole
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| Structure |
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| Formula |
C20H23N3O3S
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| Molecular Weight |
385.489
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)c1ccc2[nH]nc(C3CCN(C)CC3)c2c1
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| InChI |
InChI=1S/C20H23N3O3S/c1-23-11-9-14(10-12-23)20-18-13-17(7-8-19(18)21-22-20)27(24,25)16-5-3-15(26-2)4-6-16/h3-8,13-14H,9-12H2,1-2H3,(H,21,22)
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| InChIKey |
NRMBZJFZSSLVQR-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