General Information of the Compound
| Compound ID |
CP0745638
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| Compound Name |
(S)-2-(1-(6-chloro-7-(cyclopropylmethoxy)-2-oxo-1,2-dihydroquinolin-3-yl)ethylamino)-4-methoxypyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C21H20ClN5O3
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| Molecular Weight |
425.876
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| Canonical SMILES |
COc1nc(N[C@@H](C)c2cc3cc(Cl)c(OCC4CC4)cc3[nH]c2=O)ncc1C#N
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| InChI |
InChI=1S/C21H20ClN5O3/c1-11(25-21-24-9-14(8-23)20(27-21)29-2)15-5-13-6-16(22)18(30-10-12-3-4-12)7-17(13)26-19(15)28/h5-7,9,11-12H,3-4,10H2,1-2H3,(H,26,28)(H,24,25,27)/t11-/m0/s1
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| InChIKey |
IIDYGTPVIWYOGU-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