General Information of the Compound
| Compound ID |
CP0413109
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| Compound Name |
9-(4-Methoxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza-fluoren-9-ol
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| Structure |
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| Formula |
C18H18N2O2
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| Molecular Weight |
294.354
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| Canonical SMILES |
COc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12
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| InChI |
InChI=1S/C18H18N2O2/c1-22-14-9-7-13(8-10-14)18(21)16-6-3-2-5-15(16)17-19-11-4-12-20(17)18/h2-3,5-10,21H,4,11-12H2,1H3
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| InChIKey |
BPGNWJZOLVBWNC-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