General Information of the Compound
| Compound ID |
CP0899798
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| Compound Name |
tert-butyl 4-(2-(2-(2-(3-(trifluoromethyl)phenylcarbamoyl)phenylcarbamoyl)phenoxy)ethyl)piperazine-1-carboxylate
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| Structure |
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| Formula |
C32H35F3N4O5
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| Molecular Weight |
612.649
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CCOc2ccccc2C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C32H35F3N4O5/c1-31(2,3)44-30(42)39-17-15-38(16-18-39)19-20-43-27-14-7-5-12-25(27)29(41)37-26-13-6-4-11-24(26)28(40)36-23-10-8-9-22(21-23)32(33,34)35/h4-14,21H,15-20H2,1-3H3,(H,36,40)(H,37,41)
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| InChIKey |
QPHCCQBOTSLBTO-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