General Information of the Compound
| Compound ID |
CP0075201
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| Compound Name |
[1-[(2-aminopyridin-4-yl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)piperidin-1-yl]methanone
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| Structure |
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| Formula |
C27H36FN5O
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| Molecular Weight |
465.617
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| Canonical SMILES |
Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CCc3ccccc3CC2)ccn1
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| InChI |
InChI=1S/C27H36FN5O/c28-27(10-17-31(18-11-27)20-21-5-12-30-25(29)19-21)26(34)33-15-8-24(9-16-33)32-13-6-22-3-1-2-4-23(22)7-14-32/h1-5,12,19,24H,6-11,13-18,20H2,(H2,29,30)
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| InChIKey |
ROIWDPBJIDVJNS-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