General Information of the Compound
| Compound ID |
CP0387635
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| Compound Name |
(3aS,6aR)-3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
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| Structure |
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| Formula |
C13H15Cl2N
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| Molecular Weight |
256.176
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| Canonical SMILES |
Clc1ccc(cc1Cl)[C@]12CCC[C@H]1CNC2
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| InChI |
InChI=1S/C13H15Cl2N/c14-11-4-3-9(6-12(11)15)13-5-1-2-10(13)7-16-8-13/h3-4,6,10,16H,1-2,5,7-8H2/t10-,13+/m0/s1
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| InChIKey |
ZOSQXAHBYHMVCA-GXFFZTMASA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter