General Information of the Compound
| Compound ID |
CP0320397
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| Compound Name |
(3S)-N-(dimethylsulfamoyl)-N-[(2-phenylphenyl)methyl]pyrrolidin-3-amine
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| Structure |
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| Formula |
C19H25N3O2S
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| Molecular Weight |
359.495
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| Canonical SMILES |
CN(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
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| InChI |
InChI=1S/C19H25N3O2S/c1-21(2)25(23,24)22(18-12-13-20-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,20H,12-15H2,1-2H3/t18-/m0/s1
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| InChIKey |
WSUKOKAEFHVCAH-SFHVURJKSA-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