General Information of the Compound
| Compound ID |
CP0435531
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| Compound Name |
methyl (2R)-2-[[2-amino-5-[(2-chlorophenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]amino]-4-methylpentanoate
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| Structure |
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| Formula |
C19H22ClN5O2S2
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| Molecular Weight |
452.005
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| Canonical SMILES |
COC(=O)[C@@H](CC(C)C)Nc1nc(SCc2ccccc2Cl)nc2nc(N)sc12
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| InChI |
InChI=1S/C19H22ClN5O2S2/c1-10(2)8-13(17(26)27-3)22-15-14-16(23-18(21)29-14)25-19(24-15)28-9-11-6-4-5-7-12(11)20/h4-7,10,13H,8-9H2,1-3H3,(H3,21,22,23,24,25)/t13-/m1/s1
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| InChIKey |
QYYTVPCDMRVGDU-CYBMUJFWSA-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