General Information of the Compound
| Compound ID |
CP0449776
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| Compound Name |
(E)-1-(2-methyl-1-naphthalen-2-ylsulfonylindol-3-yl)-N-(4-methylpiperazin-1-yl)methanimine
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| Structure |
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| Formula |
C25H26N4O2S
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| Molecular Weight |
446.576
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| Canonical SMILES |
CN1CCN(CC1)\N=C\c1c(C)n(c2ccccc12)S(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C25H26N4O2S/c1-19-24(18-26-28-15-13-27(2)14-16-28)23-9-5-6-10-25(23)29(19)32(30,31)22-12-11-20-7-3-4-8-21(20)17-22/h3-12,17-18H,13-16H2,1-2H3/b26-18+
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| InChIKey |
NRZRJLGAEIGVHZ-NLRVBDNBSA-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