General Information of the Compound
| Compound ID |
CP0396119
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| Compound Name |
2-[(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]phenol
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| Structure |
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| Formula |
C12H13NOS
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| Molecular Weight |
219.309
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| Canonical SMILES |
Oc1ccccc1C1=N[C@@H]2CCC[C@@H]2S1
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| InChI |
InChI=1S/C12H13NOS/c14-10-6-2-1-4-8(10)12-13-9-5-3-7-11(9)15-12/h1-2,4,6,9,11,14H,3,5,7H2/t9-,11+/m1/s1
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| InChIKey |
NPXMBXRWSICWRV-KOLCDFICSA-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT02507, 5-hydroxytryptamine receptor 1E
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT01513, 5-hydroxytryptamine receptor 5A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7