General Information of the Compound
| Compound ID |
CP0871340
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| Compound Name |
cis-rac-(3aS,6aR)-3a-(3,4-difluorophenyl)-2-methyloctahydrocyclopenta[c]pyrrole
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| Structure |
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| Formula |
C14H17F2N
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| Molecular Weight |
237.293
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| Canonical SMILES |
CN1C[C@@H]2CCC[C@]2(c2ccc(F)c(F)c2)C1
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| InChI |
InChI=1S/C14H17F2N/c1-17-8-11-3-2-6-14(11,9-17)10-4-5-12(15)13(16)7-10/h4-5,7,11H,2-3,6,8-9H2,1H3/t11-,14+/m0/s1
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| InChIKey |
ITPUGBSWGNTRDI-SMDDNHRTSA-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