General Information of the Compound
| Compound ID |
CP0942267
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| Compound Name |
1-((3S)-3-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-7-methoxyquinazolin-6-yloxy)pyrrolidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C28H26ClN5O4
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| Molecular Weight |
532
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| Canonical SMILES |
C=CC(=O)N1CC[C@H](Oc2cc3c(Nc4ccc(OCc5ccccn5)c(Cl)c4)ncnc3cc2OC)C1
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| InChI |
InChI=1S/C28H26ClN5O4/c1-3-27(35)34-11-9-20(15-34)38-26-13-21-23(14-25(26)36-2)31-17-32-28(21)33-18-7-8-24(22(29)12-18)37-16-19-6-4-5-10-30-19/h3-8,10,12-14,17,20H,1,9,11,15-16H2,2H3,(H,31,32,33)/t20-/m0/s1
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| InChIKey |
RCIHONXVAMXMHQ-FQEVSTJZSA-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