General Information of the Compound
| Compound ID |
CP0472689
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| Compound Name |
7-Acetyl-3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5, 6,7,8-tetrahydro-3H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C28H33N7O2S
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| Molecular Weight |
531.686
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| Canonical SMILES |
CC(=O)N1CCc2c(C1)sc1nc(CCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21
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| InChI |
InChI=1S/C28H33N7O2S/c1-19(36)34-13-11-21-23(18-34)38-27-26(21)28(37)35(29)25(31-27)8-4-5-12-32-14-16-33(17-15-32)24-10-9-20-6-2-3-7-22(20)30-24/h2-3,6-7,9-10H,4-5,8,11-18,29H2,1H3
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| InChIKey |
MLNBDGCWHJVZAI-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