General Information of the Compound
| Compound ID |
CP0527964
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| Compound Name |
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
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| Structure |
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| Formula |
C25H26N4O3S
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| Molecular Weight |
462.575
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)NCCNC(=O)CCc1ccc(cc1)-c1cnc2[nH]ccc2c1
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| InChI |
InChI=1S/C25H26N4O3S/c1-18-2-9-23(10-3-18)33(31,32)29-15-14-26-24(30)11-6-19-4-7-20(8-5-19)22-16-21-12-13-27-25(21)28-17-22/h2-5,7-10,12-13,16-17,29H,6,11,14-15H2,1H3,(H,26,30)(H,27,28)
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| InChIKey |
BRIVRANKZZWLFA-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