General Information of the Compound
| Compound ID |
CP0423474
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| Compound Name |
(2R)-2-[[2-amino-5-[(2,3-difluorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentan-1-ol
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| Structure |
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| Formula |
C18H21F2N5OS2
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| Molecular Weight |
425.53
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| Canonical SMILES |
CC(C)C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12
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| InChI |
InChI=1S/C18H21F2N5OS2/c1-9(2)6-11(7-26)22-15-14-16(23-17(21)28-14)25-18(24-15)27-8-10-4-3-5-12(19)13(10)20/h3-5,9,11,26H,6-8H2,1-2H3,(H3,21,22,23,24,25)/t11-/m1/s1
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| InChIKey |
IJPNBRULEFKYSA-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