General Information of the Compound
| Compound ID |
CP0420311
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| Compound Name |
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carbothioamide
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| Structure |
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| Formula |
C21H31N5S
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| Molecular Weight |
385.581
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| Canonical SMILES |
S=C(NCCN1CCN(CC1)c1ncccn1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C21H31N5S/c27-19(21-13-16-10-17(14-21)12-18(11-16)15-21)22-4-5-25-6-8-26(9-7-25)20-23-2-1-3-24-20/h1-3,16-18H,4-15H2,(H,22,27)
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| InChIKey |
MQGITIPSCMYMEN-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C