General Information of the Compound
| Compound ID |
CP0493374
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| Compound Name |
3-Amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7-trihydro-3H-cyclopenta[d]pyrimidin-4-one
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| Structure |
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| Formula |
C24H30N6O
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| Molecular Weight |
418.545
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| Canonical SMILES |
Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCc2c1=O
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| InChI |
InChI=1S/C24H30N6O/c25-30-23(27-21-9-5-7-19(21)24(30)31)10-3-4-13-28-14-16-29(17-15-28)22-12-11-18-6-1-2-8-20(18)26-22/h1-2,6,8,11-12H,3-5,7,9-10,13-17,25H2
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| InChIKey |
SMZVQCAMELNWOP-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