General Information of the Compound
| Compound ID |
CP0543163
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| Compound Name |
2-[(3-chloro-2-fluorophenyl)methylsulfanyl]-4-(dimethylsulfamoylamino)-6-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidine
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| Structure |
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| Formula |
C16H21ClFN5O3S2
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| Molecular Weight |
449.961
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| Canonical SMILES |
C[C@H](CO)Nc1cc(NS(=O)(=O)N(C)C)nc(SCc2cccc(Cl)c2F)n1
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| InChI |
InChI=1S/C16H21ClFN5O3S2/c1-10(8-24)19-13-7-14(22-28(25,26)23(2)3)21-16(20-13)27-9-11-5-4-6-12(17)15(11)18/h4-7,10,24H,8-9H2,1-3H3,(H2,19,20,21,22)/t10-/m1/s1
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| InChIKey |
DLXZKQCNTIPINT-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