General Information of the Compound
| Compound ID |
CP0421470
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| Compound Name |
7-(4-Chloro-phenyl)-8,9-dihydro-7H-7a,10-diaza-pentaleno[1,2-a]naphthalen-7-ol
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| Structure |
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| Formula |
C20H15ClN2O
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| Molecular Weight |
334.806
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| Canonical SMILES |
OC1(N2CCN=C2c2c1ccc1ccccc21)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H15ClN2O/c21-15-8-6-14(7-9-15)20(24)17-10-5-13-3-1-2-4-16(13)18(17)19-22-11-12-23(19)20/h1-10,24H,11-12H2
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| InChIKey |
GYTGCOARTYXPAX-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