General Information of the Compound
| Compound ID |
CP0564683
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| Compound Name |
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
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| Structure |
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| Formula |
C25H26N4O4S
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| Molecular Weight |
478.574
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)NCCNC(=O)CCc1ccc(cc1)-c1cnc2[nH]ccc2c1
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| InChI |
InChI=1S/C25H26N4O4S/c1-33-22-7-9-23(10-8-22)34(31,32)29-15-14-26-24(30)11-4-18-2-5-19(6-3-18)21-16-20-12-13-27-25(20)28-17-21/h2-3,5-10,12-13,16-17,29H,4,11,14-15H2,1H3,(H,26,30)(H,27,28)
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| InChIKey |
HTEQBHKTMPXNFV-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