General Information of the Compound
| Compound ID |
CP0397209
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| Compound Name |
[5-imidazol-1-ylsulfonyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
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| Structure |
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| Formula |
C26H33N5O4S
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| Molecular Weight |
511.648
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| Canonical SMILES |
CC1CCN(CC1)C(=O)c1ccc2n(c3CCN(Cc3c2c1)C1CCOCC1)S(=O)(=O)n1ccnc1
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| InChI |
InChI=1S/C26H33N5O4S/c1-19-4-10-28(11-5-19)26(32)20-2-3-24-22(16-20)23-17-29(21-7-14-35-15-8-21)12-6-25(23)31(24)36(33,34)30-13-9-27-18-30/h2-3,9,13,16,18-19,21H,4-8,10-12,14-15,17H2,1H3
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| InChIKey |
KQPJRFXWAWUUTE-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