General Information of the Compound
| Compound ID |
CP0442606
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| Compound Name |
5-(2-oxo-2,3-dihydro-1H-spiro[4,1-benzoxazepine-5,1'-cyclohexan]-7-yl)-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C19H19N3O2
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| Molecular Weight |
321.38
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| Canonical SMILES |
O=C1COC2(CCCCC2)c2cc(ccc2N1)-c1ccc([nH]1)C#N
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| InChI |
InChI=1S/C19H19N3O2/c20-11-14-5-7-16(21-14)13-4-6-17-15(10-13)19(8-2-1-3-9-19)24-12-18(23)22-17/h4-7,10,21H,1-3,8-9,12H2,(H,22,23)
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| InChIKey |
VPPQGXDTYIQORE-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