General Information of the Compound
| Compound ID |
CP0546970
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| Compound Name |
2-chloro-4-[[(2S)-2,7-dimethyl-5,6-dioxo-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C20H16ClN5O3
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| Molecular Weight |
409.833
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| Canonical SMILES |
C[C@H]1COC(=O)c2c(N1)c1cc(Nc3ccnc(Cl)c3C#N)ccc1n(C)c2=O
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| InChI |
InChI=1S/C20H16ClN5O3/c1-10-9-29-20(28)16-17(24-10)12-7-11(3-4-15(12)26(2)19(16)27)25-14-5-6-23-18(21)13(14)8-22/h3-7,10,24H,9H2,1-2H3,(H,23,25)/t10-/m0/s1
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| InChIKey |
HECAYGOIQMGZQS-JTQLQIEISA-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