General Information of the Compound
| Compound ID |
CP0404071
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| Compound Name |
(E)-1-[1-(1-methylimidazol-2-yl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine
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| Structure |
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| Formula |
C24H26N6O2S
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| Molecular Weight |
462.579
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| Canonical SMILES |
CN1CCN(CC1)\N=C\c1c(-c2ccccc2)n(c2ccccc12)S(=O)(=O)c1nccn1C
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| InChI |
InChI=1S/C24H26N6O2S/c1-27-14-16-29(17-15-27)26-18-21-20-10-6-7-11-22(20)30(23(21)19-8-4-3-5-9-19)33(31,32)24-25-12-13-28(24)2/h3-13,18H,14-17H2,1-2H3/b26-18+
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| InChIKey |
JYGZYVXCQNPUHD-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