General Information of the Compound
| Compound ID |
CP0474330
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| Compound Name |
2-chloro-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1-(4-propan-2-ylphenyl)sulfonylindole
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| Structure |
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| Formula |
C24H30ClN3O3S
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| Molecular Weight |
476.042
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| Canonical SMILES |
COc1ccc2n(c(Cl)c(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccc(cc1)C(C)C
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| InChI |
InChI=1S/C24H30ClN3O3S/c1-17(2)18-5-8-20(9-6-18)32(29,30)28-23-10-7-19(31-4)15-21(23)22(24(28)25)16-27-13-11-26(3)12-14-27/h5-10,15,17H,11-14,16H2,1-4H3
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| InChIKey |
XOTIGRYKYMYUQH-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