General Information of the Compound
| Compound ID |
CP0415132
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| Compound Name |
3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]-7-hydroxychromen-2-one
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| Structure |
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| Formula |
C24H23N5O6
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| Molecular Weight |
477.477
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| Canonical SMILES |
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cc2ccc(O)cc2oc1=O
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| InChI |
InChI=1S/C24H23N5O6/c1-33-19-11-15-17(12-20(19)34-2)26-24(27-21(15)25)29-7-5-28(6-8-29)22(31)16-9-13-3-4-14(30)10-18(13)35-23(16)32/h3-4,9-12,30H,5-8H2,1-2H3,(H2,25,26,27)
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| InChIKey |
CNMNBFPDHZVEGX-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000050 | HEK293-A | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 100000 nM
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TI
LI
LO
TS
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