General Information of the Compound
| Compound ID |
CP0845612
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| Compound Name |
(S)-N-(3-(trifluoromethyl)benzyl)-4-(4-cyclopentylpiperazin-1-yl)-4-oxo-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)butanamide
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| Structure |
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| Formula |
C41H44F3N5O5
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| Molecular Weight |
743.827
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| Canonical SMILES |
O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCN(C2CCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1
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| InChI |
InChI=1S/C41H44F3N5O5/c42-41(43,44)31-15-9-12-29(24-31)26-45-38(51)34(25-36(50)47-22-20-46(21-23-47)32-16-7-8-17-32)48-33(19-18-28-10-3-1-4-11-28)37(39(48)52)49-35(27-54-40(49)53)30-13-5-2-6-14-30/h1-6,9-15,18-19,24,32-35,37H,7-8,16-17,20-23,25-27H2,(H,45,51)/b19-18+/t33-,34+,35-,37+/m1/s1
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| InChIKey |
WQVDZDREHNVNGE-ASUKMMDNSA-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