General Information of the Compound
| Compound ID |
CP0422260
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| Compound Name |
N-[2-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]ethyldisulfanyl]ethyl]-N-methylfuran-2-carboxamide
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| Structure |
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| Formula |
C21H27N5O4S2
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| Molecular Weight |
477.612
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| Canonical SMILES |
COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccco1
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| InChI |
InChI=1S/C21H27N5O4S2/c1-25(20(27)16-6-5-9-30-16)7-10-31-32-11-8-26(2)21-23-15-13-18(29-4)17(28-3)12-14(15)19(22)24-21/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H2,22,23,24)
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| InChIKey |
NZGMDZHAJYWRGD-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