General Information of the Compound
| Compound ID |
CP0920887
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| Compound Name |
2-[(3,3-Diphenylpropylamino)methyl]phenol
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| Structure |
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| Formula |
C22H23NO
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| Molecular Weight |
317.432
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| Canonical SMILES |
Oc1ccccc1CNCCC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C22H23NO/c24-22-14-8-7-13-20(22)17-23-16-15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,21,23-24H,15-17H2
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| InChIKey |
ZMXFPFXKJCTLTM-UHFFFAOYSA-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: PT04790, Sodium- and chloride-dependent betaine transporter
Protein ID: PT03285, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3