General Information of the Compound
| Compound ID |
CP0462409
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| Compound Name |
5-benzylsulfanyl-7-[[(2R)-1-hydroxypropan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
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| Structure |
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| Formula |
C15H16N4O2S2
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| Molecular Weight |
348.453
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| Canonical SMILES |
C[C@H](CO)Nc1[nH]c(SCc2ccccc2)nc2nc(=O)sc12
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| InChI |
InChI=1S/C15H16N4O2S2/c1-9(7-20)16-12-11-13(19-15(21)23-11)18-14(17-12)22-8-10-5-3-2-4-6-10/h2-6,9,20H,7-8H2,1H3,(H2,16,17,18,19,21)/t9-/m1/s1
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| InChIKey |
ZZAOLDVNKJEEFU-SECBINFHSA-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
Protein ID: PT01013, C-X-C chemokine receptor type 2
Protein ID: PT04582, CX3C chemokine receptor 1