General Information of the Compound
| Compound ID |
CP0570583
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| Compound Name |
[(3S)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-[(2S,3S)-3-(4-fluorophenoxy)-2-methylazetidin-1-yl]methanone
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| Formula |
C20H19ClFN3O2
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| Molecular Weight |
387.842
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| Canonical SMILES |
C[C@H]1[C@H](CN1C(=O)N1N=CC[C@H]1c1ccc(Cl)cc1)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C20H19ClFN3O2/c1-13-19(27-17-8-6-16(22)7-9-17)12-24(13)20(26)25-18(10-11-23-25)14-2-4-15(21)5-3-14/h2-9,11,13,18-19H,10,12H2,1H3/t13-,18-,19-/m0/s1
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| InChIKey |
QKQIWDAQSUNSME-AGRHKRQWSA-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