General Information of the Compound
| Compound ID |
CP0499118
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| Compound Name |
CHEMBL1644604
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| Formula |
C20H20N2O
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| Molecular Weight |
304.393
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| Canonical SMILES |
N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1
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| InChI |
InChI=1S/C20H20N2O/c21-13-14-8-16(15-4-2-1-3-5-15)10-19(9-14)23-20-11-17-6-7-18(12-20)22-17/h1-5,8-10,17-18,20,22H,6-7,11-12H2/t17-,18+,20-
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| InChIKey |
QRRQVHBNSBQIBJ-OPVJXMOQSA-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