General Information of the Compound
| Compound ID |
CP0394458
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| Compound Name |
5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole
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| Structure |
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| Formula |
C25H27N3O3S
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| Molecular Weight |
449.576
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| Canonical SMILES |
COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C25H27N3O3S/c1-26-12-14-27(15-13-26)17-20-18-28(24-11-10-21(31-2)16-23(20)24)32(29,30)25-9-5-7-19-6-3-4-8-22(19)25/h3-11,16,18H,12-15,17H2,1-2H3
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| InChIKey |
SQOLFDPPCIHHBR-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