General Information of the Compound
| Compound ID |
CP0551545
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| Compound Name |
N-[3-[4-(4-phenoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
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| Formula |
C27H21N5O2
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| Molecular Weight |
447.498
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| Canonical SMILES |
C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc(Oc4ccccc4)cc3)c12
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| InChI |
InChI=1S/C27H21N5O2/c1-2-24(33)31-20-8-6-7-18(15-20)23-16-28-26-25(23)27(30-17-29-26)32-19-11-13-22(14-12-19)34-21-9-4-3-5-10-21/h2-17H,1H2,(H,31,33)(H2,28,29,30,32)
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| InChIKey |
YRUJAJBKJMHVCY-UHFFFAOYSA-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