General Information of the Compound
| Compound ID |
CP0475533
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| Compound Name |
4-[3-(6-fluoro-4-oxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide
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| Structure |
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| Formula |
C31H25FN4O3
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| Molecular Weight |
520.564
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| Canonical SMILES |
Cc1c(cccc1-n1cnc2ccc(F)cc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
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| InChI |
InChI=1S/C31H25FN4O3/c1-16-19(5-4-6-26(16)36-15-34-24-12-8-18(32)14-23(24)30(36)38)20-10-11-22(29(33)37)28-27(20)21-9-7-17(31(2,3)39)13-25(21)35-28/h4-15,35,39H,1-3H3,(H2,33,37)
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| InChIKey |
UEMPSEHEUCQBRJ-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