General Information of the Compound
| Compound ID |
CP0488598
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| Compound Name |
N-[2-benzylsulfanyl-6-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]methanesulfonamide
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| Structure |
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| Formula |
C15H20N4O3S2
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| Molecular Weight |
368.484
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| Canonical SMILES |
C[C@H](O)CNc1cc(NS(C)(=O)=O)nc(SCc2ccccc2)n1
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| InChI |
InChI=1S/C15H20N4O3S2/c1-11(20)9-16-13-8-14(19-24(2,21)22)18-15(17-13)23-10-12-6-4-3-5-7-12/h3-8,11,20H,9-10H2,1-2H3,(H2,16,17,18,19)/t11-/m0/s1
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| InChIKey |
RLSPFMBOWNRQKF-NSHDSACASA-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