General Information of the Compound
| Compound ID |
CP0155225
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| Compound Name |
2-[1-[1-[(2-aminopyridin-4-yl)methyl]-4-fluoropiperidine-4-carbonyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-7-carbonitrile
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| Structure |
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| Formula |
C27H33FN6O
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| Molecular Weight |
476.6
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| Canonical SMILES |
Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CCc3ccc(cc3C2)C#N)ccn1
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| InChI |
InChI=1S/C27H33FN6O/c28-27(7-13-32(14-8-27)18-21-3-9-31-25(30)16-21)26(35)33-11-5-24(6-12-33)34-10-4-22-2-1-20(17-29)15-23(22)19-34/h1-3,9,15-16,24H,4-8,10-14,18-19H2,(H2,30,31)
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| InChIKey |
WAEWFNQGFKVNEU-UHFFFAOYSA-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