General Information of the Compound
| Compound ID |
CP0573785
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| Compound Name |
N-[4-(2-cyanopyrrol-1-yl)-1-oxo-1-piperidin-1-ylbutan-2-yl]-1H-indole-4-sulfonamide
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| Structure |
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| Formula |
C22H25N5O3S
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| Molecular Weight |
439.541
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| Canonical SMILES |
O=C(C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12)N1CCCCC1
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| InChI |
InChI=1S/C22H25N5O3S/c23-16-17-6-5-14-26(17)15-10-20(22(28)27-12-2-1-3-13-27)25-31(29,30)21-8-4-7-19-18(21)9-11-24-19/h4-9,11,14,20,24-25H,1-3,10,12-13,15H2
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| InChIKey |
PMRHYYXYTRTUHI-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