General Information of the Compound
| Compound ID |
CP0416758
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| Compound Name |
2-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]ethanol
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| Structure |
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| Formula |
C21H25N5O
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| Molecular Weight |
363.465
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| Canonical SMILES |
OCCN1CCN(CC1)c1nc(NCc2ccccc2)c2ccccc2n1
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| InChI |
InChI=1S/C21H25N5O/c27-15-14-25-10-12-26(13-11-25)21-23-19-9-5-4-8-18(19)20(24-21)22-16-17-6-2-1-3-7-17/h1-9,27H,10-16H2,(H,22,23,24)
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| InChIKey |
HYNFLQHZQUETAO-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00943, D(3) dopamine receptor