General Information of the Compound
| Compound ID |
CP0479256
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| Compound Name |
1-[4-(Isopropyl benzenesulfonyl)]-5-(4-methylpiperazin-1-yl-methyl)-1H-indole
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| Structure |
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| Formula |
C23H29N3O2S
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| Molecular Weight |
411.571
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| Canonical SMILES |
CC(C)c1ccc(cc1)S(=O)(=O)n1ccc2cc(CN3CCN(C)CC3)ccc12
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| InChI |
InChI=1S/C23H29N3O2S/c1-18(2)20-5-7-22(8-6-20)29(27,28)26-11-10-21-16-19(4-9-23(21)26)17-25-14-12-24(3)13-15-25/h4-11,16,18H,12-15,17H2,1-3H3
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| InChIKey |
HGMNPLGJPRITQB-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