General Information of the Compound
| Compound ID |
CP0158344
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| Compound Name |
4-((3S,5R)-5-(4-cyclopentyl-1,4-diazepane-1-carbonyl)pyrrolidin-3-yloxy)benzonitrile
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| Structure |
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| Formula |
C22H30N4O2
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| Molecular Weight |
382.508
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| Canonical SMILES |
O=C([C@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCCC1
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| InChI |
InChI=1S/C22H30N4O2/c23-15-17-6-8-19(9-7-17)28-20-14-21(24-16-20)22(27)26-11-3-10-25(12-13-26)18-4-1-2-5-18/h6-9,18,20-21,24H,1-5,10-14,16H2/t20-,21+/m0/s1
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| InChIKey |
DZMJATAIFBTELK-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