General Information of the Compound
| Compound ID |
CP0435577
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| Compound Name |
(2R)-2-[(2-amino-5-benzylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C18H21N5O2S2
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| Molecular Weight |
403.533
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| Canonical SMILES |
CC(C)C[C@@H](Nc1nc(SCc2ccccc2)nc2nc(N)sc12)C(O)=O
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| InChI |
InChI=1S/C18H21N5O2S2/c1-10(2)8-12(16(24)25)20-14-13-15(21-17(19)27-13)23-18(22-14)26-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,24,25)(H3,19,20,21,22,23)/t12-/m1/s1
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| InChIKey |
JGZWLGNFSYAFSU-GFCCVEGCSA-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