General Information of the Compound
| Compound ID |
CP0412412
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| Compound Name |
2-[[(3S)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl]amino]naphthalene-1,4-dione
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| Structure |
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| Formula |
C25H25N5O4
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| Molecular Weight |
459.506
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| Canonical SMILES |
COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC1=CC(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C25H25N5O4/c1-33-21-10-17-18(12-22(21)34-2)28-25(29-24(17)26)30-9-5-6-14(13-30)27-19-11-20(31)15-7-3-4-8-16(15)23(19)32/h3-4,7-8,10-12,14,27H,5-6,9,13H2,1-2H3,(H2,26,28,29)/t14-/m0/s1
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| InChIKey |
ZLHMTVZLNSBOJW-AWEZNQCLSA-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
Cell Viability or Cytotoxicity Assay