General Information of the Compound
| Compound ID |
CP0576046
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| Compound Name |
N-[5-(3-ethyl-3-hydroxypiperidin-1-yl)-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide
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| Formula |
C27H31N7O5
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| Molecular Weight |
533.589
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| Canonical SMILES |
CCC1(O)CCCN(C1)c1nc2nc(oc2cc1NC(=O)c1coc(n1)-c1ccnc(C)c1)N1CCOCC1
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| InChI |
InChI=1S/C27H31N7O5/c1-3-27(36)6-4-8-34(16-27)23-19(14-21-22(31-23)32-26(39-21)33-9-11-37-12-10-33)29-24(35)20-15-38-25(30-20)18-5-7-28-17(2)13-18/h5,7,13-15,36H,3-4,6,8-12,16H2,1-2H3,(H,29,35)
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| InChIKey |
QXLAWCPTQRLVMN-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