General Information of the Compound
| Compound ID |
CP0530083
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| Compound Name |
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 |
C24H26N4O2S
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| Molecular Weight |
434.565
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| Canonical SMILES |
O=S(=O)(NCCNCCCc1ccc(cc1)-c1cnc2[nH]ccc2c1)c1ccccc1
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| InChI |
InChI=1S/C24H26N4O2S/c29-31(30,23-6-2-1-3-7-23)28-16-15-25-13-4-5-19-8-10-20(11-9-19)22-17-21-12-14-26-24(21)27-18-22/h1-3,6-12,14,17-18,25,28H,4-5,13,15-16H2,(H,26,27)
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| InChIKey |
JOJUJDXKWGOXON-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