General Information of the Compound
| Compound ID |
CP0410932
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| Compound Name |
2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine
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| Structure |
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| Formula |
C22H20Cl2N2O
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| Molecular Weight |
399.321
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| Canonical SMILES |
Clc1cc(Cl)c(O[C@H]([C@H]2CCNC2)c2ccccc2)c(c1)-c1ccccn1
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| InChI |
InChI=1S/C22H20Cl2N2O/c23-17-12-18(20-8-4-5-10-26-20)22(19(24)13-17)27-21(16-9-11-25-14-16)15-6-2-1-3-7-15/h1-8,10,12-13,16,21,25H,9,11,14H2/t16-,21-/m0/s1
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| InChIKey |
QQMFCCASOIUAMW-KKSFZXQISA-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