General Information of the Compound
| Compound ID |
CP0125129
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| Compound Name |
4-[4-[(3R)-3-aminopiperidine-1-carbonyl]-5-methyl-1-(4-methylphenyl)imidazol-2-yl]benzonitrile
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| Structure |
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| Formula |
C24H25N5O
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| Molecular Weight |
399.498
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| Canonical SMILES |
Cc1c(nc(-c2ccc(cc2)C#N)n1-c1ccc(C)cc1)C(=O)N1CCC[C@@H](N)C1
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| InChI |
InChI=1S/C24H25N5O/c1-16-5-11-21(12-6-16)29-17(2)22(24(30)28-13-3-4-20(26)15-28)27-23(29)19-9-7-18(14-25)8-10-19/h5-12,20H,3-4,13,15,26H2,1-2H3/t20-/m1/s1
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| InChIKey |
MYWJNHASCSTXNX-HXUWFJFHSA-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