General Information of the Compound
| Compound ID |
CP0259936
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| Compound Name |
tert-butyl (3R)-4-[5-[[4-(dimethylsulfamoyl)phenyl]methoxy]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylate
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| Structure |
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| Formula |
C23H33N5O5S
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| Molecular Weight |
491.614
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(cc2)S(=O)(=O)N(C)C)cn1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C23H33N5O5S/c1-17-15-27(22(29)33-23(2,3)4)11-12-28(17)21-24-13-19(14-25-21)32-16-18-7-9-20(10-8-18)34(30,31)26(5)6/h7-10,13-14,17H,11-12,15-16H2,1-6H3/t17-/m1/s1
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| InChIKey |
UDHFXHPKMYKCBY-QGZVFWFLSA-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