General Information of the Compound
| Compound ID |
CP0095581
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| Compound Name |
1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
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| Synonyms |
1,1,1,3,3,3-hexafluoro-2-(2-fluoro-4'-((4-(pyridin-4-ylmethyl)piperazin-1-yl)methyl)-[1,1'-biphenyl]-4-yl)propan-2-ol
1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol
1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
1359164-11-6
2-Fluoro-4'-[[4-(4-pyridinylMethyl)-1-piperazinyl]Methyl]-alpha,alpha-bis(trifluoroMethyl)-[1,1'-biphenyl]-4-Methanol
2-Fluoro-4'-[[4-(4-pyridinylmethyl)-1-piperazinyl]methyl]-
2-Fluoro-4'-[[4-(4-pyridinylmethyl)-1-piperazinyl]methyl]-?,?-bis(trifluoromethyl)-[1,1'-biphenyl]-4-methanol
2-Fluoro-4'-[[4-(4-pyridinylmethyl)-1-piperazinyl]methyl]-a,a-bis(trifluoromethyl)-[1,1'-biphenyl]-4-methanol
2-fluoro-4'-[[4-(4-pyridinylmethyl)-1-piperazinyl]methyl]-aa-bis(trifluoromethyl)-[1,1'-biphenyl]-4-methanol
A,
A-bis(trifluoromethyl)-[1,1'-biphenyl]-4-methanol
AKOS024458387
AOB1053
AS-16406
B5743
BDBM50005410
C26H24F7N3O
CHEMBL2137199
CS-0013508
GTPL10144
HY-16998
J3.525.407B
L7P
ML310
MLS004256334
NCGC00379220-06
SCHEMBL13974431
SMR003081219
SR 2211
SR-03000002211
SR-03000002211-1
SR2211
SYN5040
ZINC95571083
sr-2211
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| Structure |
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| Formula |
C26H24F7N3O
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| Molecular Weight |
527.484
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| Canonical SMILES |
OC(c1ccc(c(F)c1)-c1ccc(CN2CCN(Cc3ccncc3)CC2)cc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C26H24F7N3O/c27-23-15-21(24(37,25(28,29)30)26(31,32)33)5-6-22(23)20-3-1-18(2-4-20)16-35-11-13-36(14-12-35)17-19-7-9-34-10-8-19/h1-10,15,37H,11-14,16-17H2
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| InChIKey |
KVHKWAZUPPBMLL-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: PT02663, Nuclear receptor ROR-gamma
Clinical Information about the Compound