General Information of the Compound
| Compound ID |
CP0437722
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| Compound Name |
(R)-1-(3-(methylamino)-1-phenylpropyl)-3-propyl-1H-benzo[d]imidazol-2(3H)-one
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| Structure |
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| Formula |
C20H25N3O
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| Molecular Weight |
323.44
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| Canonical SMILES |
CCCn1c2ccccc2n([C@H](CCNC)c2ccccc2)c1=O
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| InChI |
InChI=1S/C20H25N3O/c1-3-15-22-18-11-7-8-12-19(18)23(20(22)24)17(13-14-21-2)16-9-5-4-6-10-16/h4-12,17,21H,3,13-15H2,1-2H3/t17-/m1/s1
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| InChIKey |
VBPKFUYKYAIDNV-QGZVFWFLSA-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter