General Information of the Compound
| Compound ID |
CP0231221
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| Compound Name |
(2S)-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]-1,4-oxazepane-2-carboxamide
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| Structure |
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| Formula |
C22H22N4O2
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| Molecular Weight |
374.444
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| Canonical SMILES |
O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CNCCCO1
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| InChI |
InChI=1S/C22H22N4O2/c23-13-17-4-8-19(9-5-17)18-6-2-16(3-7-18)12-20(14-24)26-22(27)21-15-25-10-1-11-28-21/h2-9,20-21,25H,1,10-12,15H2,(H,26,27)/t20-,21-/m0/s1
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| InChIKey |
FCRODBUNBQJNPU-SFTDATJTSA-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