General Information of the Compound
| Compound ID |
CP0970214
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| Compound Name |
((4-((2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)carbamoyl)-L-tryptophan
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| Structure |
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| Formula |
C24H21N7O4
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| Molecular Weight |
471.477
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| Canonical SMILES |
Nc1nc(Oc2ccc(NC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)cc2)c2cc[nH]c2n1
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| InChI |
InChI=1S/C24H21N7O4/c25-23-30-20-17(9-10-26-20)21(31-23)35-15-7-5-14(6-8-15)28-24(34)29-19(22(32)33)11-13-12-27-18-4-2-1-3-16(13)18/h1-10,12,19,27H,11H2,(H,32,33)(H2,28,29,34)(H3,25,26,30,31)/t19-/m0/s1
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| InChIKey |
VWVRMSVKZHMBQU-IBGZPJMESA-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