General Information of the Compound
| Compound ID |
CP0888246
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| Compound Name |
1-((3S)-3-(4-(3-chloro-2,4-difluorophenylamino)quinazolin-6-yloxy)pyrrolidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C21H17ClF2N4O2
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| Molecular Weight |
430.842
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| Canonical SMILES |
C=CC(=O)N1CC[C@H](Oc2ccc3ncnc(Nc4ccc(F)c(Cl)c4F)c3c2)C1
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| InChI |
InChI=1S/C21H17ClF2N4O2/c1-2-18(29)28-8-7-13(10-28)30-12-3-5-16-14(9-12)21(26-11-25-16)27-17-6-4-15(23)19(22)20(17)24/h2-6,9,11,13H,1,7-8,10H2,(H,25,26,27)/t13-/m0/s1
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| InChIKey |
VZKKPAPIFNWFTL-ZDUSSCGKSA-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