General Information of the Compound
| Compound ID |
CP0106703
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| Compound Name |
1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-(4-fluorophenoxy)pyrrolidin-1-yl)ethanone
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| Structure |
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| Formula |
C22H30FN3O3
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| Molecular Weight |
403.498
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| Canonical SMILES |
CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C22H30FN3O3/c1-16(27)26-15-20(29-19-8-6-17(23)7-9-19)14-21(26)22(28)25-11-3-10-24(12-13-25)18-4-2-5-18/h6-9,18,20-21H,2-5,10-15H2,1H3/t20-,21+/m0/s1
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| InChIKey |
UIGWTXCWWHYDSX-LEWJYISDSA-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