General Information of the Compound
| Compound ID |
CP0382876
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| Compound Name |
(2R)-2-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-3,3-dimethylbutan-1-ol
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| Structure |
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| Formula |
C18H23N5OS2
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| Molecular Weight |
389.55
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| Canonical SMILES |
CC(C)(C)[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12
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| InChI |
InChI=1S/C18H23N5OS2/c1-18(2,3)12(9-24)20-14-13-15(21-16(19)26-13)23-17(22-14)25-10-11-7-5-4-6-8-11/h4-8,12,24H,9-10H2,1-3H3,(H3,19,20,21,22,23)/t12-/m0/s1
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| InChIKey |
ZKLITWMNDRXOLR-LBPRGKRZSA-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