General Information of the Compound
| Compound ID |
CP0465327
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| Compound Name |
5-benzylsulfanyl-7-[[(2R)-1-hydroxybutan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
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| Structure |
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| Formula |
C16H18N4O2S2
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| Molecular Weight |
362.48
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| Canonical SMILES |
CC[C@H](CO)Nc1nc(SCc2ccccc2)[nH]c2nc(=O)sc12
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| InChI |
InChI=1S/C16H18N4O2S2/c1-2-11(8-21)17-13-12-14(20-16(22)24-12)19-15(18-13)23-9-10-6-4-3-5-7-10/h3-7,11,21H,2,8-9H2,1H3,(H2,17,18,19,20,22)/t11-/m1/s1
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| InChIKey |
VNUFOKWSYSXHCN-LLVKDONJSA-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