General Information of the Compound
| Compound ID |
CP0467296
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| Compound Name |
(S)-N-(3-(4-(2-(4-fluorophenyl)acetamido)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
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| Structure |
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| Formula |
C27H34FN3O2
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| Molecular Weight |
451.586
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| Canonical SMILES |
Fc1ccc(CC(=O)NC2CCN(CC[C@H](NC(=O)C3CCC3)c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C27H34FN3O2/c28-23-11-9-20(10-12-23)19-26(32)29-24-13-16-31(17-14-24)18-15-25(21-5-2-1-3-6-21)30-27(33)22-7-4-8-22/h1-3,5-6,9-12,22,24-25H,4,7-8,13-19H2,(H,29,32)(H,30,33)/t25-/m0/s1
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| InChIKey |
YQOKDKXYGHIVEJ-VWLOTQADSA-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