General Information of the Compound
| Compound ID |
CP0335944
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| Compound Name |
5-(2-(ethoxymethyl)piperazin-1-yl)-1H-indazole
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| Structure |
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| Formula |
C14H20N4O
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| Molecular Weight |
260.341
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| Canonical SMILES |
CCOCC1CNCCN1c1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C14H20N4O/c1-2-19-10-13-9-15-5-6-18(13)12-3-4-14-11(7-12)8-16-17-14/h3-4,7-8,13,15H,2,5-6,9-10H2,1H3,(H,16,17)
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| InChIKey |
JFCGNEFWNWVNQD-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter