General Information of the Compound
| Compound ID |
CP0578081
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| Compound Name |
2-[(1S)-1-amino-3-methylbutyl]-6-pyridin-4-ylquinoline-4-carbonitrile
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| Structure |
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| Formula |
C20H20N4
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| Molecular Weight |
316.408
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| Canonical SMILES |
CC(C)C[C@H](N)c1cc(C#N)c2cc(ccc2n1)-c1ccncc1
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| InChI |
InChI=1S/C20H20N4/c1-13(2)9-18(22)20-11-16(12-21)17-10-15(3-4-19(17)24-20)14-5-7-23-8-6-14/h3-8,10-11,13,18H,9,22H2,1-2H3/t18-/m0/s1
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| InChIKey |
FMNWOBLAZAYOSG-SFHVURJKSA-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