General Information of the Compound
| Compound ID |
CP0563702
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| Compound Name |
N-[4-(2-cyanopyrrol-1-yl)-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
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| Structure |
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| Formula |
C22H25N5O4S
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| Molecular Weight |
455.54
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| Canonical SMILES |
OC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
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| InChI |
InChI=1S/C22H25N5O4S/c23-15-16-3-2-11-26(16)14-9-20(22(29)27-12-7-17(28)8-13-27)25-32(30,31)21-5-1-4-19-18(21)6-10-24-19/h1-6,10-11,17,20,24-25,28H,7-9,12-14H2
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| InChIKey |
BCRSXQKVHOHKBH-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