General Information of the Compound
| Compound ID |
CP0123274
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| Compound Name |
(4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-phenoxypyrrolidin-2-yl)methanone
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| Structure |
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| Formula |
C20H29N3O2
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| Molecular Weight |
343.471
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| Canonical SMILES |
O=C([C@H]1C[C@@H](CN1)Oc1ccccc1)N1CCCN(CC1)C1CCC1
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| InChI |
InChI=1S/C20H29N3O2/c24-20(23-11-5-10-22(12-13-23)16-6-4-7-16)19-14-18(15-21-19)25-17-8-2-1-3-9-17/h1-3,8-9,16,18-19,21H,4-7,10-15H2/t18-,19+/m0/s1
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| InChIKey |
WKMFJKLQUIOKSZ-RBUKOAKNSA-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