General Information of the Compound
| Compound ID |
CP0462405
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| Compound Name |
3-[[2-amino-7-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanylmethyl]benzonitrile
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| Structure |
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| Formula |
C19H22N6OS2
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| Molecular Weight |
414.56
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| Canonical SMILES |
CC(C)C[C@H](CO)Nc1nc(SCc2cccc(c2)C#N)nc2nc(N)sc12
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| InChI |
InChI=1S/C19H22N6OS2/c1-11(2)6-14(9-26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-10-13-5-3-4-12(7-13)8-20/h3-5,7,11,14,26H,6,9-10H2,1-2H3,(H3,21,22,23,24,25)/t14-/m1/s1
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| InChIKey |
NEIWWMKJOZNVLY-CQSZACIVSA-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