General Information of the Compound
| Compound ID |
CP0546971
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| Compound Name |
2-chloro-4-[[(2S,4S)-2,4,7-trimethyl-6-oxo-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C21H20ClN5O2
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| Molecular Weight |
409.877
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| Canonical SMILES |
C[C@H]1C[C@H](C)Oc2c(N1)c1cc(Nc3ccnc(Cl)c3C#N)ccc1n(C)c2=O
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| InChI |
InChI=1S/C21H20ClN5O2/c1-11-8-12(2)29-19-18(25-11)14-9-13(4-5-17(14)27(3)21(19)28)26-16-6-7-24-20(22)15(16)10-23/h4-7,9,11-12,25H,8H2,1-3H3,(H,24,26)/t11-,12-/m0/s1
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| InChIKey |
OKPHKEBKWFZNHM-RYUDHWBXSA-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