General Information of the Compound
| Compound ID |
CP0498554
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| Compound Name |
2-benzylsulfanyl-6-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidine-4-carboxylic acid
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| Structure |
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| Formula |
C15H17N3O3S
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| Molecular Weight |
319.386
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| Canonical SMILES |
C[C@H](CO)Nc1cc(nc(SCc2ccccc2)n1)C(O)=O
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| InChI |
InChI=1S/C15H17N3O3S/c1-10(8-19)16-13-7-12(14(20)21)17-15(18-13)22-9-11-5-3-2-4-6-11/h2-7,10,19H,8-9H2,1H3,(H,20,21)(H,16,17,18)/t10-/m1/s1
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| InChIKey |
WFLYFJAGCGTNQW-SNVBAGLBSA-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