General Information of the Compound
| Compound ID |
CP0504279
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| Compound Name |
N-(5-methyl-1,2-oxazol-3-yl)-2-[1-[[3-(6-pyrrolidin-1-ylpyridin-3-yl)phenyl]methyl]indol-3-yl]sulfonylacetamide
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| Structure |
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| Formula |
C30H29N5O4S
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| Molecular Weight |
555.66
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| Canonical SMILES |
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(c3)-c3ccc(nc3)N3CCCC3)c3ccccc23)no1
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| InChI |
InChI=1S/C30H29N5O4S/c1-21-15-28(33-39-21)32-30(36)20-40(37,38)27-19-35(26-10-3-2-9-25(26)27)18-22-7-6-8-23(16-22)24-11-12-29(31-17-24)34-13-4-5-14-34/h2-3,6-12,15-17,19H,4-5,13-14,18,20H2,1H3,(H,32,33,36)
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| InChIKey |
YZDGXCRCEXGQBS-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