General Information of the Compound
| Compound ID |
CP0095968
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| Compound Name |
4-((3S,5R)-5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-3-yloxy)benzonitrile
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| Structure |
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| Formula |
C21H28N4O2
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| Molecular Weight |
368.481
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| Canonical SMILES |
O=C([C@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCC1
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| InChI |
InChI=1S/C21H28N4O2/c22-14-16-5-7-18(8-6-16)27-19-13-20(23-15-19)21(26)25-10-2-9-24(11-12-25)17-3-1-4-17/h5-8,17,19-20,23H,1-4,9-13,15H2/t19-,20+/m0/s1
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| InChIKey |
DCLRBWCBZZADCC-VQTJNVASSA-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