General Information of the Compound
| Compound ID |
CP0473616
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| Compound Name |
5-(4-isopropylphenylsulfonyl)-3-(1-methylpiperidin-4-yl)-1H-indazole
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| Structure |
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| Formula |
C22H27N3O2S
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| Molecular Weight |
397.544
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| Canonical SMILES |
CC(C)c1ccc(cc1)S(=O)(=O)c1ccc2[nH]nc(C3CCN(C)CC3)c2c1
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| InChI |
InChI=1S/C22H27N3O2S/c1-15(2)16-4-6-18(7-5-16)28(26,27)19-8-9-21-20(14-19)22(24-23-21)17-10-12-25(3)13-11-17/h4-9,14-15,17H,10-13H2,1-3H3,(H,23,24)
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| InChIKey |
QWHMNVFMPYFMCB-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