General Information of the Compound
| Compound ID |
CP0454733
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| Compound Name |
(2S)-N-[(1S)-1-cyano-2-[4-(1-methyl-2-oxoquinolin-7-yl)phenyl]ethyl]-1,4-oxazepane-2-carboxamide
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| Structure |
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| Formula |
C25H26N4O3
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| Molecular Weight |
430.508
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| Canonical SMILES |
Cn1c2cc(ccc2ccc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
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| InChI |
InChI=1S/C25H26N4O3/c1-29-22-14-20(8-7-19(22)9-10-24(29)30)18-5-3-17(4-6-18)13-21(15-26)28-25(31)23-16-27-11-2-12-32-23/h3-10,14,21,23,27H,2,11-13,16H2,1H3,(H,28,31)/t21-,23-/m0/s1
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| InChIKey |
BQIZWZAQEICNDG-GMAHTHKFSA-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