General Information of the Compound
| Compound ID |
CP0854696
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| Compound Name |
1-[(4-Isopropylphenyl)sulfonyl]-5-methoxy-3-[(4-methyl-1-piperazinyl)methyl]-1H-indole Dimesylate
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| Structure |
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| Formula |
C26H39N3O9S3
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| Molecular Weight |
633.811
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| Canonical SMILES |
COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccc(C(C)C)cc1.CS(=O)(=O)O.CS(=O)(=O)O
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| InChI |
InChI=1S/C24H31N3O3S.2CH4O3S/c1-18(2)19-5-8-22(9-6-19)31(28,29)27-17-20(16-26-13-11-25(3)12-14-26)23-15-21(30-4)7-10-24(23)27;2*1-5(2,3)4/h5-10,15,17-18H,11-14,16H2,1-4H3;2*1H3,(H,2,3,4)
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| InChIKey |
SMOVCJQIQLSTAN-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