General Information of the Compound
| Compound ID |
CP0881840
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| Compound Name |
1-((3S)-3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yloxy)pyrrolidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C28H24ClFN4O3
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| Molecular Weight |
518.976
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| Canonical SMILES |
C=CC(=O)N1CC[C@H](Oc2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)C1
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| InChI |
InChI=1S/C28H24ClFN4O3/c1-2-27(35)34-11-10-22(15-34)37-21-7-8-25-23(14-21)28(32-17-31-25)33-20-6-9-26(24(29)13-20)36-16-18-4-3-5-19(30)12-18/h2-9,12-14,17,22H,1,10-11,15-16H2,(H,31,32,33)/t22-/m0/s1
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| InChIKey |
VBQOKKHDJKYLNC-QFIPXVFZSA-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