General Information of the Compound
| Compound ID |
CP0220983
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| Compound Name |
(7R)-7-ethyl-5-methyl-8-(1H-pyrazol-4-yl)-2-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-7H-pteridin-6-one
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| Structure |
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| Formula |
C18H17N9OS
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| Molecular Weight |
407.463
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| Canonical SMILES |
CC[C@H]1N(c2cn[nH]c2)c2nc(ncc2N(C)C1=O)-c1c[nH]nc1-c1nccs1
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| InChI |
InChI=1S/C18H17N9OS/c1-3-12-18(28)26(2)13-9-20-15(24-16(13)27(12)10-6-21-22-7-10)11-8-23-25-14(11)17-19-4-5-29-17/h4-9,12H,3H2,1-2H3,(H,21,22)(H,23,25)/t12-/m1/s1
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| InChIKey |
CPDRDZZZFNTJCE-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