General Information of the Compound
| Compound ID |
CP0404139
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| Compound Name |
11-(4-Chloro-phenyl)-5a,7,8,9,9a,11-hexahydro-6H-benzo[4,5]imidazo[2,1-a]isoindol-11-ol
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| Structure |
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| Formula |
C20H19ClN2O
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| Molecular Weight |
338.838
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| Canonical SMILES |
OC1(N2[C@H]3CCCC[C@@H]3N=C2c2ccccc12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H19ClN2O/c21-14-11-9-13(10-12-14)20(24)16-6-2-1-5-15(16)19-22-17-7-3-4-8-18(17)23(19)20/h1-2,5-6,9-12,17-18,24H,3-4,7-8H2/t17-,18-,20?/m0/s1
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| InChIKey |
KLRMDPMJYLBCKY-IJXZTRCJSA-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