General Information of the Compound
| Compound ID |
CP0330446
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| Compound Name |
(1S,2R)-2-((methylamino)methyl)-1-(2-(naphthalen-1-yl)phenoxy)-2,3-dihydro-1H-inden-2-ol
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| Structure |
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| Formula |
C27H25NO2
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| Molecular Weight |
395.502
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| Canonical SMILES |
CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1-c1cccc2ccccc12
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| InChI |
InChI=1S/C27H25NO2/c1-28-18-27(29)17-20-10-3-5-13-22(20)26(27)30-25-16-7-6-14-24(25)23-15-8-11-19-9-2-4-12-21(19)23/h2-16,26,28-29H,17-18H2,1H3/t26-,27+/m0/s1
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| InChIKey |
WQHNJPRNTDZGGW-RRPNLBNLSA-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