General Information of the Compound
| Compound ID |
CP0010974
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| Compound Name |
[4-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]oxythiophen-2-yl]-morpholin-4-ylmethanone
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| Structure |
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| Formula |
C21H23N7O3S
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| Molecular Weight |
453.528
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| Canonical SMILES |
CCn1ncc(c1C)-c1nc2c(Oc3csc(c3)C(=O)N3CCOCC3)ncnc2n1C
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| InChI |
InChI=1S/C21H23N7O3S/c1-4-28-13(2)15(10-24-28)18-25-17-19(26(18)3)22-12-23-20(17)31-14-9-16(32-11-14)21(29)27-5-7-30-8-6-27/h9-12H,4-8H2,1-3H3
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| InChIKey |
XZICPUZVXHICOX-UHFFFAOYSA-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