General Information of the Compound
| Compound ID |
CP0454497
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| Compound Name |
3-Amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-5,6,7, 8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C26H30N6OS2
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| Molecular Weight |
506.701
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| Canonical SMILES |
Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2sc3CCCCc3c2c1=O
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| InChI |
InChI=1S/C26H30N6OS2/c27-32-25(33)23-19-7-2-4-9-21(19)35-24(23)29-26(32)34-17-5-12-30-13-15-31(16-14-30)22-11-10-18-6-1-3-8-20(18)28-22/h1,3,6,8,10-11H,2,4-5,7,9,12-17,27H2
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| InChIKey |
JIWMRJSKGUAANW-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