General Information of the Compound
| Compound ID |
CP0529306
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| Compound Name |
1-(4-fluorophenyl)-N-(3-{4-[5-(isobutyrylamino)-2-methylphenyl]-1-piperidinyl}propyl)cyclopentanecarboxamide
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| Structure |
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| Formula |
C32H44FN3O2
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| Molecular Weight |
521.721
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| Canonical SMILES |
CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)C2(CCCCC2)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C32H44FN3O2/c1-23(2)30(37)35-28-13-8-24(3)29(22-28)25-14-20-36(21-15-25)19-7-18-34-31(38)32(16-5-4-6-17-32)26-9-11-27(33)12-10-26/h8-13,22-23,25H,4-7,14-21H2,1-3H3,(H,34,38)(H,35,37)
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| InChIKey |
MEPMSZIBYJDWKM-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