General Information of the Compound
| Compound ID |
CP0412002
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| Compound Name |
5-[(3R,5R)-5-methyl-1-[2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetyl]piperidin-3-yl]quinoline-8-carbonitrile
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| Structure |
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| Formula |
C25H30N4O
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| Molecular Weight |
402.542
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| Canonical SMILES |
C[C@@H]1C[C@@H](CN(C1)C(=O)CC1C2CC1CN(C)C2)c1ccc(C#N)c2ncccc12
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| InChI |
InChI=1S/C25H30N4O/c1-16-8-18(21-6-5-17(11-26)25-22(21)4-3-7-27-25)15-29(12-16)24(30)10-23-19-9-20(23)14-28(2)13-19/h3-7,16,18-20,23H,8-10,12-15H2,1-2H3/t16-,18+,19?,20?,23?/m1/s1
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| InChIKey |
IKEYHDWLJQLYRM-FKXRAVRNSA-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