General Information of the Compound
| Compound ID |
CP0534120
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| Compound Name |
(3R)-4-[2-(1H-imidazol-5-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine
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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(N2CCOC[C@H]2C)c2nc(sc2n1)-c1c[nH]cn1
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| InChI |
InChI=1S/C18H23N7O2S/c1-11-8-26-5-3-24(11)15-14-17(28-16(21-14)13-7-19-10-20-13)23-18(22-15)25-4-6-27-9-12(25)2/h7,10-12H,3-6,8-9H2,1-2H3,(H,19,20)/t11-,12+/m1/s1
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| InChIKey |
UNNFHSHTKAWADU-NEPJUHHUSA-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