General Information of the Compound
| Compound ID |
CP0968138
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| Compound Name |
((4-((2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)carbamoyl)-L-glutamine
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| Structure |
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| Formula |
C18H19N7O5
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| Molecular Weight |
413.394
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| Canonical SMILES |
NC(=O)CC[C@H](NC(=O)Nc1ccc(Oc2nc(N)nc3[nH]ccc23)cc1)C(=O)O
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| InChI |
InChI=1S/C18H19N7O5/c19-13(26)6-5-12(16(27)28)23-18(29)22-9-1-3-10(4-2-9)30-15-11-7-8-21-14(11)24-17(20)25-15/h1-4,7-8,12H,5-6H2,(H2,19,26)(H,27,28)(H2,22,23,29)(H3,20,21,24,25)/t12-/m0/s1
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| InChIKey |
JRCJVKHSFRHZPE-LBPRGKRZSA-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