General Information of the Compound
| Compound ID |
CP0564682
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| Compound Name |
N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
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| Structure |
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| Formula |
C24H23N5O5S
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| Molecular Weight |
493.545
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)NCCNC(=O)CCc1ccc(cc1)-c1cnc2[nH]ccc2c1
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| InChI |
InChI=1S/C24H23N5O5S/c30-23(25-13-14-28-35(33,34)22-8-6-21(7-9-22)29(31)32)10-3-17-1-4-18(5-2-17)20-15-19-11-12-26-24(19)27-16-20/h1-2,4-9,11-12,15-16,28H,3,10,13-14H2,(H,25,30)(H,26,27)
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| InChIKey |
PGMVZXRTNUKFHR-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