General Information of the Compound
| Compound ID |
CP0525930
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| Compound Name |
(S)-4-(2-(benzyloxycarbonyl)-3-oxo-3-(4-(4-(trifluoromethyl)benzoyl)piperazin-1-yl)propyl)phenyl 4-methylbenzenesulfonate
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| Structure |
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| Formula |
C36H34F3N3O7S
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| Molecular Weight |
709.743
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C36H34F3N3O7S/c1-25-7-17-31(18-8-25)50(46,47)49-30-15-9-26(10-16-30)23-32(40-35(45)48-24-27-5-3-2-4-6-27)34(44)42-21-19-41(20-22-42)33(43)28-11-13-29(14-12-28)36(37,38)39/h2-18,32H,19-24H2,1H3,(H,40,45)/t32-/m0/s1
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| InChIKey |
GAXYTEBDPNLHNU-YTTGMZPUSA-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