General Information of the Compound
| Compound ID |
CP0019480
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| Compound Name |
4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile
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| Structure |
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| Formula |
C24H20N4O2
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| Molecular Weight |
396.45
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| Canonical SMILES |
C[C@@H](Nc1c(cnc2cc(ccc12)-c1ccc(cc1)-n1ccoc1=O)C#N)C1CC1
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| InChI |
InChI=1S/C24H20N4O2/c1-15(16-2-3-16)27-23-19(13-25)14-26-22-12-18(6-9-21(22)23)17-4-7-20(8-5-17)28-10-11-30-24(28)29/h4-12,14-16H,2-3H2,1H3,(H,26,27)/t15-/m1/s1
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| InChIKey |
UYHWBUQAFDQZDY-OAHLLOKOSA-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