General Information of the Compound
| Compound ID |
CP0247776
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| Compound Name |
2-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperazin-1-yl]-[1,4]naphthoquinone
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| Structure |
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| Formula |
C24H23N5O4
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| Molecular Weight |
445.479
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| Canonical SMILES |
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C1=CC(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C24H23N5O4/c1-32-20-11-16-17(12-21(20)33-2)26-24(27-23(16)25)29-9-7-28(8-10-29)18-13-19(30)14-5-3-4-6-15(14)22(18)31/h3-6,11-13H,7-10H2,1-2H3,(H2,25,26,27)
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| InChIKey |
WDWPULBPXBZDDC-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
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor