General Information of the Compound
| Compound ID |
CP0762758
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| Compound Name |
(S)-2-(1-(6-chloro-7-isopropoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethylamino)-4-methoxypyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C20H20ClN5O3
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| Molecular Weight |
413.865
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| Canonical SMILES |
COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OC(C)C)cc3[nH]c2=O)ncc1C#N
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| InChI |
InChI=1S/C20H20ClN5O3/c1-10(2)29-17-7-16-12(6-15(17)21)5-14(18(27)25-16)11(3)24-20-23-9-13(8-22)19(26-20)28-4/h5-7,9-11H,1-4H3,(H,25,27)(H,23,24,26)/t11-/m0/s1
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| InChIKey |
PVBTVTWQUGLJJL-NSHDSACASA-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