General Information of the Compound
| Compound ID |
CP0965630
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| Compound Name |
N-{5-{4-{[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-[(1-methoxypropan-2-yl)oxy]-phenyl}acrylamide
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| Formula |
C31H29ClN6O4
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| Molecular Weight |
585.064
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| Canonical SMILES |
C=CC(=O)Nc1cc(-c2c[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)ccc1OC(C)COC
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| InChI |
InChI=1S/C31H29ClN6O4/c1-4-28(39)38-25-13-20(8-10-27(25)42-19(2)16-40-3)23-15-34-30-29(23)31(36-18-35-30)37-21-9-11-26(24(32)14-21)41-17-22-7-5-6-12-33-22/h4-15,18-19H,1,16-17H2,2-3H3,(H,38,39)(H2,34,35,36,37)
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| InChIKey |
FPJGDXKFEYENFB-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