General Information of the Compound
| Compound ID |
CP0435200
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| Compound Name |
5-propan-2-yloxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
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| Structure |
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| Formula |
C21H24N2OS
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| Molecular Weight |
352.503
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| Canonical SMILES |
CC(C)Oc1ccc2[nH]cc(C3=CCN(Cc4cccs4)CC3)c2c1
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| InChI |
InChI=1S/C21H24N2OS/c1-15(2)24-17-5-6-21-19(12-17)20(13-22-21)16-7-9-23(10-8-16)14-18-4-3-11-25-18/h3-7,11-13,15,22H,8-10,14H2,1-2H3
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| InChIKey |
QEHDNJNWBKJWNE-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: PT01005, D(2) dopamine receptor