General Information of the Compound
| Compound ID |
CP0042095
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| Compound Name |
(8S)-N-[2-(3-fluorophenyl)ethyl]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
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| Structure |
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| Formula |
C19H22FN
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| Molecular Weight |
283.39
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| Canonical SMILES |
Fc1cccc(CCN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1
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| InChI |
InChI=1S/C19H22FN/c20-10-3-1-2-9(6-10)4-5-21-19-16-12-8-13-15-11(12)7-14(16)17(15)18(13)19/h1-3,6,11-19,21H,4-5,7-8H2/t11?,12?,13?,14?,15?,16?,17?,18?,19-/m0/s1
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| InChIKey |
FZIIBLBHXXRTMG-RAOGCBAWSA-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