General Information of the Compound
| Compound ID |
CP0579654
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| Compound Name |
2-[(1S)-1-amino-3-methylbutyl]-6-(1,3-oxazol-5-yl)quinoline-4-carbonitrile
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| Structure |
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| Formula |
C18H18N4O
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| Molecular Weight |
306.369
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| Canonical SMILES |
CC(C)C[C@H](N)c1cc(C#N)c2cc(ccc2n1)-c1cnco1
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| InChI |
InChI=1S/C18H18N4O/c1-11(2)5-15(20)17-7-13(8-19)14-6-12(3-4-16(14)22-17)18-9-21-10-23-18/h3-4,6-7,9-11,15H,5,20H2,1-2H3/t15-/m0/s1
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| InChIKey |
IOFDVGHFGKFHPV-HNNXBMFYSA-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