General Information of the Compound
| Compound ID |
CP0426083
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| Compound Name |
N-[2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propylamino]ethyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C27H27N5O2S
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| Molecular Weight |
485.613
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| Canonical SMILES |
O=S(=O)(NCCNCCCc1ccc(cc1)-c1cnc2[nH]ccc2c1)c1cccc2cnccc12
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| InChI |
InChI=1S/C27H27N5O2S/c33-35(34,26-5-1-4-23-18-29-13-11-25(23)26)32-16-15-28-12-2-3-20-6-8-21(9-7-20)24-17-22-10-14-30-27(22)31-19-24/h1,4-11,13-14,17-19,28,32H,2-3,12,15-16H2,(H,30,31)
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| InChIKey |
ORLBCUFBKKUQCF-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