General Information of the Compound
| Compound ID |
CP0377003
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| Compound Name |
3-(1-methylpiperidin-4-yl)-5-(naphthalen-2-ylsulfonyl)-1H-indazole
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| Structure |
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| Formula |
C23H23N3O2S
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| Molecular Weight |
405.523
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| Canonical SMILES |
CN1CCC(CC1)c1n[nH]c2ccc(cc12)S(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C23H23N3O2S/c1-26-12-10-17(11-13-26)23-21-15-20(8-9-22(21)24-25-23)29(27,28)19-7-6-16-4-2-3-5-18(16)14-19/h2-9,14-15,17H,10-13H2,1H3,(H,24,25)
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| InChIKey |
BJLXTIRVHASGOE-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