General Information of the Compound
| Compound ID |
CP0153595
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| Compound Name |
N-[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl]-2-phenylsulfanylpyridine-3-carboxamide
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| Synonyms |
1428327-31-4
AKOS025142079
CHEMBL2338352
GTPL7538
J-115
JNJ 47965567
JNJ-479655
JNJ-47965567
JNJ-47965567, >
JNJ47965567
MolPort-035-941-198
N-((4-(4-phenylpiperazin-1-yl)tetrahydro-2H-pyran-4-yl)methyl)-2-(phenylthio)nicotinamide
N-[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl]-2-phenylsulfanylpyridine-3-carboxamide
N-{[4-(4-Phenylpiperazin-1-Yl)oxan-4-Yl]methyl}-2-(Phenylsulfanyl)pyridine-3-Carboxamide
NCGC00387264-01
P2X Antagonist III
Z2235332565
ZINC95590396
antagonist JNJ47965567
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| Structure |
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| Formula |
C28H32N4O2S
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| Molecular Weight |
488.657
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| Canonical SMILES |
O=C(NCC1(CCOCC1)N1CCN(CC1)c1ccccc1)c1cccnc1Sc1ccccc1
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| InChI |
InChI=1S/C28H32N4O2S/c33-26(25-12-7-15-29-27(25)35-24-10-5-2-6-11-24)30-22-28(13-20-34-21-14-28)32-18-16-31(17-19-32)23-8-3-1-4-9-23/h1-12,15H,13-14,16-22H2,(H,30,33)
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| InChIKey |
XREFXUCWSYMIOG-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: PT03475, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7
Clinical Information about the Compound