General Information of the Compound
| Compound ID |
CP0293773
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| Compound Name |
N-[4-(3-bromoanilino)-7-[4-(dimethylamino)butoxy]quinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C23H26BrN5O2
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| Molecular Weight |
484.398
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| Canonical SMILES |
CN(C)CCCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=C
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| InChI |
InChI=1S/C23H26BrN5O2/c1-4-22(30)28-20-13-18-19(14-21(20)31-11-6-5-10-29(2)3)25-15-26-23(18)27-17-9-7-8-16(24)12-17/h4,7-9,12-15H,1,5-6,10-11H2,2-3H3,(H,28,30)(H,25,26,27)
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| InChIKey |
DKBAOZZHNYPUBZ-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