General Information of the Compound
| Compound ID |
CP0965109
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| Compound Name |
(S)-2-(3-(4-((2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)ureido)-3-(naphthalen-2-yl)propanoic acid
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| Structure |
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| Formula |
C26H22N6O4
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| Molecular Weight |
482.5
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| Canonical SMILES |
Nc1nc(Oc2ccc(NC(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)O)cc2)c2cc[nH]c2n1
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| InChI |
InChI=1S/C26H22N6O4/c27-25-31-22-20(11-12-28-22)23(32-25)36-19-9-7-18(8-10-19)29-26(35)30-21(24(33)34)14-15-5-6-16-3-1-2-4-17(16)13-15/h1-13,21H,14H2,(H,33,34)(H2,29,30,35)(H3,27,28,31,32)/t21-/m0/s1
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| InChIKey |
SKEWZBQQSOVOQF-NRFANRHFSA-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