General Information of the Compound
| Compound ID |
CP0421594
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| Compound Name |
N-(3-cyanophenyl)-7-imidazol-1-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
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| Formula |
C20H17N5O2
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| Molecular Weight |
359.389
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| Canonical SMILES |
O=C(Nc1cccc(c1)C#N)N1CCOc2ccc(cc2C1)-n1ccnc1
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| InChI |
InChI=1S/C20H17N5O2/c21-12-15-2-1-3-17(10-15)23-20(26)24-8-9-27-19-5-4-18(11-16(19)13-24)25-7-6-22-14-25/h1-7,10-11,14H,8-9,13H2,(H,23,26)
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| InChIKey |
YSUDNAJUNPLHNA-UHFFFAOYSA-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