General Information of the Compound
| Compound ID |
CP0451981
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| Compound Name |
(3aS,7aR)-7a-(3,4-dichlorophenyl)-2-methyl-3,3a,4,5,6,7-hexahydro-1H-isoindole
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| Structure |
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| Formula |
C15H19Cl2N
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| Molecular Weight |
284.23
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| Canonical SMILES |
CN1C[C@H]2CCCC[C@]2(C1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C15H19Cl2N/c1-18-9-12-4-2-3-7-15(12,10-18)11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3/t12-,15+/m1/s1
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| InChIKey |
FEYNATNTSNGKKO-DOMZBBRYSA-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