General Information of the Compound
| Compound ID |
CP0522158
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| Compound Name |
5-(4-methylpiperazin-1-yl)-3-(naphthalen-1-ylsulfonyl)-1-propyl-1H-indazole
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| Structure |
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| Formula |
C25H28N4O2S
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| Molecular Weight |
448.592
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| Canonical SMILES |
CCCn1nc(c2cc(ccc12)N1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C25H28N4O2S/c1-3-13-29-23-12-11-20(28-16-14-27(2)15-17-28)18-22(23)25(26-29)32(30,31)24-10-6-8-19-7-4-5-9-21(19)24/h4-12,18H,3,13-17H2,1-2H3
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| InChIKey |
GDOIJRCWWFUDGD-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