General Information of the Compound
| Compound ID |
CP0277315
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| Compound Name |
N-[4-(3-bromoanilino)-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C25H29BrN6O2
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| Molecular Weight |
525.451
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| Canonical SMILES |
CN1CCN(CCCOc2cc3ncnc(Nc4cccc(Br)c4)c3cc2NC(=O)C=C)CC1
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| InChI |
InChI=1S/C25H29BrN6O2/c1-3-24(33)30-22-15-20-21(27-17-28-25(20)29-19-7-4-6-18(26)14-19)16-23(22)34-13-5-8-32-11-9-31(2)10-12-32/h3-4,6-7,14-17H,1,5,8-13H2,2H3,(H,30,33)(H,27,28,29)
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| InChIKey |
IWAYNBDAXAGXQK-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