General Information of the Compound
| Compound ID |
CP0540132
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| Compound Name |
2-[(2R)-4-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpiperazin-1-yl]-N-(5-hydroxy-2-adamantyl)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C27H33F2N5O4S
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| Molecular Weight |
561.655
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1cc(F)c(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C27H33F2N5O4S/c1-15-14-33(22-9-20(29)23(10-19(22)28)39(2,37)38)5-6-34(15)26-30-4-3-21(31-26)25(35)32-24-17-7-16-8-18(24)13-27(36,11-16)12-17/h3-4,9-10,15-18,24,36H,5-8,11-14H2,1-2H3,(H,32,35)/t15-,16?,17?,18?,24?,27?/m1/s1
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| InChIKey |
PSBPDXHWUFGPDI-BTKHOAOZSA-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