General Information of the Compound
| Compound ID |
CP0566392
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| Compound Name |
N-[(3R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C20H23N5O4
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| Molecular Weight |
397.435
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| Canonical SMILES |
COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC(=O)c1ccco1
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| InChI |
InChI=1S/C20H23N5O4/c1-27-16-9-13-14(10-17(16)28-2)23-20(24-18(13)21)25-7-3-5-12(11-25)22-19(26)15-6-4-8-29-15/h4,6,8-10,12H,3,5,7,11H2,1-2H3,(H,22,26)(H2,21,23,24)/t12-/m1/s1
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| InChIKey |
KUSUAKLXHXASTN-GFCCVEGCSA-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