General Information of the Compound
| Compound ID |
CP0426082
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| Compound Name |
4-methyl-N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C25H28N4O2S
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| Molecular Weight |
448.592
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)NCCNCCCc1ccc(cc1)-c1cnc2[nH]ccc2c1
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| InChI |
InChI=1S/C25H28N4O2S/c1-19-4-10-24(11-5-19)32(30,31)29-16-15-26-13-2-3-20-6-8-21(9-7-20)23-17-22-12-14-27-25(22)28-18-23/h4-12,14,17-18,26,29H,2-3,13,15-16H2,1H3,(H,27,28)
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| InChIKey |
FCLXUXVQBWKOTM-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