General Information of the Compound
| Compound ID |
CP0053445
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| Compound Name |
(8S)-N-[(3-fluorophenyl)methyl]pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
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| Structure |
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| Formula |
C18H20FN
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| Molecular Weight |
269.363
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| Canonical SMILES |
Fc1cccc(CN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1
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| InChI |
InChI=1S/C18H20FN/c19-9-3-1-2-8(4-9)7-20-18-15-11-6-12-14-10(11)5-13(15)16(14)17(12)18/h1-4,10-18,20H,5-7H2/t10?,11?,12?,13?,14?,15?,16?,17?,18-/m0/s1
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| InChIKey |
JDFBBZLNLYXHDC-CAUKCHDASA-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