General Information of the Compound
| Compound ID |
CP0526307
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| Compound Name |
3-Amino-5,6-dimethyl-2-[3-(4-phenanthridin-6-ylpiperazin-1-yl)-propylthio]-3H-thieno[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C28H30N6OS2
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| Molecular Weight |
530.723
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| Canonical SMILES |
Cc1sc2nc(SCCCN3CCN(CC3)c3nc4ccccc4c4ccccc34)n(N)c(=O)c2c1C
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| InChI |
InChI=1S/C28H30N6OS2/c1-18-19(2)37-26-24(18)27(35)34(29)28(31-26)36-17-7-12-32-13-15-33(16-14-32)25-22-10-4-3-8-20(22)21-9-5-6-11-23(21)30-25/h3-6,8-11H,7,12-17,29H2,1-2H3
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| InChIKey |
IQKPITCNSNNYNB-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