General Information of the Compound
| Compound ID |
CP0879010
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| Compound Name |
N-{6-[(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]-hexyl}-3-dimethylaminomethyl-N-methyl-benzamide
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| Structure |
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| Formula |
C28H40N6O3
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| Molecular Weight |
508.667
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| Canonical SMILES |
COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN(C)C)c3)nc(N)c2cc1OC
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| InChI |
InChI=1S/C28H40N6O3/c1-32(2)19-20-12-11-13-21(16-20)27(35)33(3)14-9-7-8-10-15-34(4)28-30-23-18-25(37-6)24(36-5)17-22(23)26(29)31-28/h11-13,16-18H,7-10,14-15,19H2,1-6H3,(H2,29,30,31)
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| InChIKey |
JSMDVVKGKQQXSH-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor