General Information of the Compound
| Compound ID |
CP0874562
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| Compound Name |
9-Benzo[1,3]dioxol-5-yl-1,2,3,9-tetrahydro-4,9a-diaza-fluoren-9-ol hydrochloride
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| Structure |
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| Formula |
C18H17ClN2O3
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| Molecular Weight |
344.798
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| Canonical SMILES |
Cl.OC1(c2ccc3c(c2)OCO3)c2ccccc2C2=NCCCN21
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| InChI |
InChI=1S/C18H16N2O3.ClH/c21-18(12-6-7-15-16(10-12)23-11-22-15)14-5-2-1-4-13(14)17-19-8-3-9-20(17)18;/h1-2,4-7,10,21H,3,8-9,11H2;1H
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| InChIKey |
YEPHLOVPJHBBRN-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