General Information of the Compound
| Compound ID |
CP0379541
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| Compound Name |
5-(4-Methylpiperazin-1-yl)-3-(m-tolylsulfonyl)-1H-indazole
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| Structure |
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| Formula |
C19H22N4O2S
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| Molecular Weight |
370.478
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| Canonical SMILES |
CN1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc(C)c1
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| InChI |
InChI=1S/C19H22N4O2S/c1-14-4-3-5-16(12-14)26(24,25)19-17-13-15(6-7-18(17)20-21-19)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,20,21)
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| InChIKey |
HEZHVAQOQZFYKP-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