General Information of the Compound
| Compound ID |
CP0380693
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| Compound Name |
3-(1-methylpiperidin-4-yl)-5-(phenylsulfonyl)-1H-indazole
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| Structure |
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| Formula |
C19H21N3O2S
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| Molecular Weight |
355.463
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| Canonical SMILES |
CN1CCC(CC1)c1n[nH]c2ccc(cc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C19H21N3O2S/c1-22-11-9-14(10-12-22)19-17-13-16(7-8-18(17)20-21-19)25(23,24)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,20,21)
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| InChIKey |
NKVPQARCVBQWEZ-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