General Information of the Compound
| Compound ID |
CP0313989
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| Compound Name |
[1-[(2-aminopyridin-4-yl)methyl]-4-fluoropiperidin-4-yl]-[4-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)piperidin-1-yl]methanone
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| Structure |
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| Formula |
C31H36FN5O
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| Molecular Weight |
513.661
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| Canonical SMILES |
Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2Cc3ccccc3Cc3ccccc23)ccn1
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| InChI |
InChI=1S/C31H36FN5O/c32-31(12-17-35(18-13-31)21-23-9-14-34-29(33)19-23)30(38)36-15-10-27(11-16-36)37-22-26-7-2-1-5-24(26)20-25-6-3-4-8-28(25)37/h1-9,14,19,27H,10-13,15-18,20-22H2,(H2,33,34)
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| InChIKey |
AUKNZSATOILHNI-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