General Information of the Compound
| Compound ID |
CP0543985
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| Compound Name |
4-[7-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-1,4-oxazepane
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| Structure |
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| Formula |
C18H23N7O2S
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| Molecular Weight |
401.496
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| Canonical SMILES |
C[C@@H]1COCCN1c1nc(nc2sc(nc12)-c1cc[nH]n1)N1CCCOCC1
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| InChI |
InChI=1S/C18H23N7O2S/c1-12-11-27-10-7-25(12)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)24-5-2-8-26-9-6-24/h3-4,12H,2,5-11H2,1H3,(H,19,23)/t12-/m1/s1
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| InChIKey |
XJMQODZKRRLVPJ-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