General Information of the Compound
| Compound ID |
CP0577756
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| Compound Name |
[3-(4-bromophenyl)sulfanylazetidin-1-yl]-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
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| Formula |
C19H16BrF2N3OS
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| Molecular Weight |
452.324
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| Canonical SMILES |
Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)N1CC(C1)Sc1ccc(Br)cc1
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| InChI |
InChI=1S/C19H16BrF2N3OS/c20-13-1-3-16(4-2-13)27-17-10-24(11-17)19(26)25-18(5-6-23-25)12-7-14(21)9-15(22)8-12/h1-4,6-9,17-18H,5,10-11H2/t18-/m0/s1
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| InChIKey |
JJSIXWBKNFOAQZ-SFHVURJKSA-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