General Information of the Compound
| Compound ID |
CP0376371
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| Compound Name |
2-[[6-chloro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
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| Structure |
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| Formula |
C15H20ClN5O
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| Molecular Weight |
321.812
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| Canonical SMILES |
CN1CCN(CC1)c1nc(NCCO)c2cc(Cl)ccc2n1
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| InChI |
InChI=1S/C15H20ClN5O/c1-20-5-7-21(8-6-20)15-18-13-3-2-11(16)10-12(13)14(19-15)17-4-9-22/h2-3,10,22H,4-9H2,1H3,(H,17,18,19)
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| InChIKey |
BQFFJFYYLYTLCC-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: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT01711, Histamine H4 receptor