General Information of the Compound
| Compound ID |
CP0938089
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| Compound Name |
1-((3S)-3-(4-(4-bromo-3-chloro-2-fluorophenylamino)-7-methoxyquinazolin-6-yloxy)pyrrolidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C22H19BrClFN4O3
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| Molecular Weight |
521.774
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| Canonical SMILES |
C=CC(=O)N1CC[C@H](Oc2cc3c(Nc4ccc(Br)c(Cl)c4F)ncnc3cc2OC)C1
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| InChI |
InChI=1S/C22H19BrClFN4O3/c1-3-19(30)29-7-6-12(10-29)32-18-8-13-16(9-17(18)31-2)26-11-27-22(13)28-15-5-4-14(23)20(24)21(15)25/h3-5,8-9,11-12H,1,6-7,10H2,2H3,(H,26,27,28)/t12-/m0/s1
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| InChIKey |
KHLSAEXBMBBGNT-LBPRGKRZSA-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