General Information of the Compound
| Compound ID |
CP0354592
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| Compound Name |
4-[(5R)-3-(2,4-Dimethyl-1,3-thiazol-5-yl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]benzonitrile
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| Structure |
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| Formula |
C21H17FN4S
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| Molecular Weight |
376.46
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| Canonical SMILES |
Cc1nc(C)c(s1)C1=NN([C@H](C1)c1ccc(F)cc1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C21H17FN4S/c1-13-21(27-14(2)24-13)19-11-20(16-5-7-17(22)8-6-16)26(25-19)18-9-3-15(12-23)4-10-18/h3-10,20H,11H2,1-2H3/t20-/m1/s1
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| InChIKey |
FZNOPYJUXZVXAK-HXUWFJFHSA-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