General Information of the Compound
| Compound ID |
CP0035382
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| Compound Name |
(2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}phenoxy)propane-1,2-diol
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| Synonyms |
2gfs
5-amino-1-(4-fluorophenyl)-4-[3-{2(S),3-dihydroxypropoxy}benzoyl]pyrazole
AC1NS1L4
BDBM15754
CHEBI:45116
CHEMBL203567
DB08424
IJDQETGUEUJVTB-HNNXBMFYSA-N
J3.504.577E
PQB
RO3201195
Ro 320-1195
Ro-320-1195
Ro-3201195
SCHEMBL4108597
UNII-TE3ESF890C component IJDQETGUEUJVTB-HNNXBMFYSA-N
[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl](3-{[(2S)-2,3-dihydroxypropyl]oxy}phenyl)methanone
aminopyrazole 63
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| Structure |
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| Formula |
C19H18FN3O4
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| Molecular Weight |
371.368
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| Canonical SMILES |
Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1
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| InChI |
InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1
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| InChIKey |
IJDQETGUEUJVTB-HNNXBMFYSA-N
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| CAS |
249936-55-8
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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
Clinical Information about the Compound