General Information of the Compound
| Compound ID |
CP0541640
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| Compound Name |
3,4-dichloro-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 |
C24H24Cl2N4O2S
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| Molecular Weight |
503.455
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| Canonical SMILES |
Clc1ccc(cc1Cl)S(=O)(=O)NCCNCCCc1ccc(cc1)-c1cnc2[nH]ccc2c1
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| InChI |
InChI=1S/C24H24Cl2N4O2S/c25-22-8-7-21(15-23(22)26)33(31,32)30-13-12-27-10-1-2-17-3-5-18(6-4-17)20-14-19-9-11-28-24(19)29-16-20/h3-9,11,14-16,27,30H,1-2,10,12-13H2,(H,28,29)
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| InChIKey |
PLZPWZFBCQPNLY-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