General Information of the Compound
| Compound ID |
CP0101392
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| Compound Name |
1-ethyl-3-[4-[6-[(3S)-3-ethylmorpholin-4-yl]-7-methylpurin-2-yl]phenyl]urea
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| Structure |
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| Formula |
C21H27N7O2
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| Molecular Weight |
409.494
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| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)cnc2n1
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| InChI |
InChI=1S/C21H27N7O2/c1-4-16-12-30-11-10-28(16)20-17-19(23-13-27(17)3)25-18(26-20)14-6-8-15(9-7-14)24-21(29)22-5-2/h6-9,13,16H,4-5,10-12H2,1-3H3,(H2,22,24,29)/t16-/m0/s1
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| InChIKey |
RUKPARYVYJUSPH-INIZCTEOSA-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