General Information of the Compound
| Compound ID |
CP0969948
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| Compound Name |
(S)-2-(3-(4-((2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)ureido)-5-phenylpentanoic acid
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| Structure |
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| Formula |
C24H24N6O4
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| Molecular Weight |
460.494
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| Canonical SMILES |
Nc1nc(Oc2ccc(NC(=O)N[C@@H](CCCc3ccccc3)C(=O)O)cc2)c2cc[nH]c2n1
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| InChI |
InChI=1S/C24H24N6O4/c25-23-29-20-18(13-14-26-20)21(30-23)34-17-11-9-16(10-12-17)27-24(33)28-19(22(31)32)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-14,19H,4,7-8H2,(H,31,32)(H2,27,28,33)(H3,25,26,29,30)/t19-/m0/s1
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| InChIKey |
XAPVGJRUDCCSOS-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