General Information of the Compound
| Compound ID |
CP0886260
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| Compound Name |
SID85795421
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| Structure |
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| Formula |
C32H37F3N4O5
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| Molecular Weight |
614.665
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1
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| InChI |
InChI=1S/C32H37F3N4O5/c1-20-16-39(21(2)19-40)30(41)27-15-25(37-31(42)36-24-9-12-26(43-4)13-10-24)11-14-28(27)44-29(20)18-38(3)17-22-5-7-23(8-6-22)32(33,34)35/h5-15,20-21,29,40H,16-19H2,1-4H3,(H2,36,37,42)/t20-,21+,29+/m1/s1
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| InChIKey |
JRHQODKPGBTKIY-CGQTXMLISA-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