General Information of the Compound
| Compound ID |
CP0247164
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| Compound Name |
1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2,3-dihydroindol-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone
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| Structure |
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| Formula |
C29H26FN5O3
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| Molecular Weight |
511.557
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc4N(CCc4c3F)C(=O)Cc3c(C)[nH]c4ccccc34)c2cc1OC
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| InChI |
InChI=1S/C29H26FN5O3/c1-16-19(17-6-4-5-7-21(17)33-16)13-27(36)35-11-10-18-24(35)9-8-22(28(18)30)34-29-20-12-25(37-2)26(38-3)14-23(20)31-15-32-29/h4-9,12,14-15,33H,10-11,13H2,1-3H3,(H,31,32,34)
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| InChIKey |
PWKQWWYOOHQCAO-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