General Information of the Compound
| Compound ID |
CP0236510
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| Compound Name |
5-(2-(methoxymethyl)piperazin-1-yl)-1H-indazole
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| Structure |
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| Formula |
C13H18N4O
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| Molecular Weight |
246.314
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| Canonical SMILES |
COCC1CNCCN1c1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C13H18N4O/c1-18-9-12-8-14-4-5-17(12)11-2-3-13-10(6-11)7-15-16-13/h2-3,6-7,12,14H,4-5,8-9H2,1H3,(H,15,16)
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| InChIKey |
XRHNNEJZJBTDKD-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