General Information of the Compound
| Compound ID |
CP0294753
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| Compound Name |
9-methyl-2-(methylthio)-3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
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| Structure |
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| Formula |
C18H19N3O2S2
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| Molecular Weight |
373.503
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| Canonical SMILES |
CSc1nn2c(C)c3CCCCc3nc2c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C18H19N3O2S2/c1-12-14-10-6-7-11-15(14)19-17-16(18(24-2)20-21(12)17)25(22,23)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3
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| InChIKey |
WKNMEUSGOJIXHX-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT01354, 5-hydroxytryptamine receptor 6