General Information of the Compound
| Compound ID |
CP0081174
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| Compound Name |
(S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piperidine-3-carboxylic acid
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| Synonyms |
(3S)-1-{2-[tris(4-methoxyphenyl)methoxy]ethyl}piperidine-3-carboxylic
(S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piperidine-3-carboxylic acid
(S)-1-[2-[TRIS(4-METHOXYPHENYL)METHOXY]ETHYL]-3-PIPERIDINECARBOXYLIC ACID
(S)-SNAP 5114
(S)-SNAP-5114
(S)-SNAP-5114, >
157604-55-2
AKOS024456666
B6792
BDBM50039246
BN0494
CHEMBL75035
CTK0H0672
DTXSID40440224
GTPL4677
HMS3268E15
MFCD06411702
MolPort-003-983-686
NCGC00025217-02
SCHEMBL18187570
SNAP-5114
SR-01000597587
SR-01000597587-1
ZINC3995954
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| Structure |
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| Formula |
C30H35NO6
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| Molecular Weight |
505.611
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| Canonical SMILES |
COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
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| InChI |
InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1
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| InChIKey |
VDLDUZLDZBVOAS-QFIPXVFZSA-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: PT02527, Sodium- and chloride-dependent betaine transporter
Protein ID: PT03285, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT02528, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT05696, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT02526, Sodium- and chloride-dependent GABA transporter 3
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3
Clinical Information about the Compound