General Information of the Compound
| Compound ID |
CP0417852
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| Compound Name |
N-[3-(4-methylpiperazin-1-yl)phenyl]-N-pentan-3-ylnaphthalene-2-sulfonamide
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| Structure |
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| Formula |
C26H33N3O2S
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| Molecular Weight |
451.636
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| Canonical SMILES |
CCC(CC)N(c1cccc(c1)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C26H33N3O2S/c1-4-23(5-2)29(25-12-8-11-24(20-25)28-17-15-27(3)16-18-28)32(30,31)26-14-13-21-9-6-7-10-22(21)19-26/h6-14,19-20,23H,4-5,15-18H2,1-3H3
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| InChIKey |
BLRAWZSIIAPMMK-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