General Information of the Compound
| Compound ID |
CP0571434
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| Compound Name |
N-[5-[4-[(2-benzyl-3H-benzimidazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethoxy)phenyl]prop-2-enamide
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| Formula |
C31H27N7O3
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| Molecular Weight |
545.603
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| Canonical SMILES |
OCCOc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc4[nH]c(Cc5ccccc5)nc4c3)c12
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| InChI |
InChI=1S/C31H27N7O3/c1-2-28(40)38-25-15-20(8-11-26(25)41-13-12-39)22-17-32-30-29(22)31(34-18-33-30)35-21-9-10-23-24(16-21)37-27(36-23)14-19-6-4-3-5-7-19/h2-11,15-18,39H,1,12-14H2,(H,36,37)(H,38,40)(H2,32,33,34,35)
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| InChIKey |
UHXMARJQLILHMW-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