General Information of the Compound
| Compound ID |
CP0396037
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| Compound Name |
(E)-1-[1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine
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| Structure |
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| Formula |
C28H28N4O4S
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| Molecular Weight |
516.623
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| Canonical SMILES |
CN1CCN(CC1)\N=C\c1c(-c2ccccc2)n(c2ccccc12)S(=O)(=O)c1cccc2OCCOc12
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| InChI |
InChI=1S/C28H28N4O4S/c1-30-14-16-31(17-15-30)29-20-23-22-10-5-6-11-24(22)32(27(23)21-8-3-2-4-9-21)37(33,34)26-13-7-12-25-28(26)36-19-18-35-25/h2-13,20H,14-19H2,1H3/b29-20+
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| InChIKey |
FTRZMKVTSZPZLJ-ZTKZIYFRSA-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