General Information of the Compound
| Compound ID |
CP0472688
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| Compound Name |
3-Amino-6-hydroxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
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| Structure |
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| Formula |
C25H32N6O2
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| Molecular Weight |
448.571
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| Canonical SMILES |
Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCC(O)Cc2c1=O
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| InChI |
InChI=1S/C25H32N6O2/c26-31-24(28-22-10-9-19(32)17-20(22)25(31)33)7-3-4-12-29-13-15-30(16-14-29)23-11-8-18-5-1-2-6-21(18)27-23/h1-2,5-6,8,11,19,32H,3-4,7,9-10,12-17,26H2
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| InChIKey |
ZNOMCTSKVJJIMN-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: PT02227, 5-hydroxytryptamine receptor 3A