General Information of the Compound
| Compound ID |
CP0566242
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| Compound Name |
N-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-(2-methyl-4-methylsulfonylphenyl)piperazin-1-yl]pyrimidine-4-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 |
C[C@@H]1CN(CCN1c1nccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1C)S(C)(=O)=O
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| InChI |
InChI=1S/C28H37N5O4S/c1-17-10-22(38(3,36)37)4-5-24(17)32-8-9-33(18(2)16-32)27-29-7-6-23(30-27)26(34)31-25-20-11-19-12-21(25)15-28(35,13-19)14-20/h4-7,10,18-21,25,35H,8-9,11-16H2,1-3H3,(H,31,34)/t18-,19?,20?,21?,25?,28?/m1/s1
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| InChIKey |
XKZFWWPKEONPAF-ODNWWFQISA-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