General Information of the Compound
| Compound ID |
CP0577986
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| Compound Name |
N-(5-hydroxy-2-adamantyl)-6-[(2R)-2-methyl-4-[4-(methylsulfamoyl)phenyl]piperazin-1-yl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C28H37N5O4S
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| Molecular Weight |
539.702
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(cc1)N1CCN([C@H](C)C1)c1cccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2
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| InChI |
InChI=1S/C28H37N5O4S/c1-18-17-32(22-6-8-23(9-7-22)38(36,37)29-2)10-11-33(18)25-5-3-4-24(30-25)27(34)31-26-20-12-19-13-21(26)16-28(35,14-19)15-20/h3-9,18-21,26,29,35H,10-17H2,1-2H3,(H,31,34)/t18-,19?,20?,21?,26?,28?/m1/s1
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| InChIKey |
LYUXYFPWODOAHD-WHPWKXGYSA-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