General Information of the Compound
| Compound ID |
CP0420408
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| Compound Name |
(4-phenylphenyl) N-[4-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]carbamate
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| Structure |
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| Formula |
C28H30F3N3O2
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| Molecular Weight |
497.561
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| Canonical SMILES |
FC(F)(F)c1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(cc2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C28H30F3N3O2/c29-28(30,31)25-10-4-5-11-26(25)34-20-18-33(19-21-34)17-7-6-16-32-27(35)36-24-14-12-23(13-15-24)22-8-2-1-3-9-22/h1-5,8-15H,6-7,16-21H2,(H,32,35)
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| InChIKey |
VDDJMIICHGUNIS-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