General Information of the Compound
| Compound ID |
CP0502282
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| Compound Name |
7-(4-methylpiperazin-1-yl)-3-(naphthalen-1-ylsulfonyl)-1H-indazole
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| Structure |
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| Formula |
C22H22N4O2S
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| Molecular Weight |
406.511
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| Canonical SMILES |
CN1CCN(CC1)c1cccc2c(n[nH]c12)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C22H22N4O2S/c1-25-12-14-26(15-13-25)19-10-5-9-18-21(19)23-24-22(18)29(27,28)20-11-4-7-16-6-2-3-8-17(16)20/h2-11H,12-15H2,1H3,(H,23,24)
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| InChIKey |
OTNZGDDCMUKHGQ-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