General Information of the Compound
| Compound ID |
CP0464899
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| Compound Name |
(3S)-N-[(3R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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| Structure |
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| Formula |
C24H27N5O5
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| Molecular Weight |
465.51
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| Canonical SMILES |
COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC(=O)[C@@H]1COc2ccccc2O1
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| InChI |
InChI=1S/C24H27N5O5/c1-31-19-10-15-16(11-20(19)32-2)27-24(28-22(15)25)29-9-5-6-14(12-29)26-23(30)21-13-33-17-7-3-4-8-18(17)34-21/h3-4,7-8,10-11,14,21H,5-6,9,12-13H2,1-2H3,(H,26,30)(H2,25,27,28)/t14-,21+/m1/s1
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| InChIKey |
LCYPGGDZOSRDEW-SZNDQCEHSA-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