General Information of the Compound
| Compound ID |
CP0559052
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| Compound Name |
N-(5-hydroxy-2-adamantyl)-6-[(2R)-2-methyl-4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C27H35N5O4S
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| Molecular Weight |
525.675
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1cccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1)S(N)(=O)=O
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| InChI |
InChI=1S/C27H35N5O4S/c1-17-16-31(21-5-7-22(8-6-21)37(28,35)36)9-10-32(17)24-4-2-3-23(29-24)26(33)30-25-19-11-18-12-20(25)15-27(34,13-18)14-19/h2-8,17-20,25,34H,9-16H2,1H3,(H,30,33)(H2,28,35,36)/t17-,18?,19?,20?,25?,27?/m1/s1
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| InChIKey |
VNDDYDLXFFZMAS-XAZJTVHOSA-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