General Information of the Compound
| Compound ID |
CP0411809
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| Compound Name |
CHEMBL1644608
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| Formula |
C20H20N2O
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| Molecular Weight |
304.393
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| Canonical SMILES |
N#Cc1ccccc1-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
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| InChI |
InChI=1S/C20H20N2O/c21-13-15-4-1-2-7-20(15)14-5-3-6-18(10-14)23-19-11-16-8-9-17(12-19)22-16/h1-7,10,16-17,19,22H,8-9,11-12H2/t16-,17+,19-
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| InChIKey |
JGPRTHDFGZBWFN-IZZQQSIFSA-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