General Information of the Compound
| Compound ID |
CP0885640
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| Compound Name |
SID85801925
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| Structure |
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| Formula |
C32H38F3N3O6S
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| Molecular Weight |
649.732
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| Canonical SMILES |
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=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/C32H38F3N3O6S/c1-21-17-38(22(2)20-39)31(40)16-24-15-26(36-45(41,42)28-12-10-27(43-4)11-13-28)9-14-29(24)44-30(21)19-37(3)18-23-5-7-25(8-6-23)32(33,34)35/h5-15,21-22,30,36,39H,16-20H2,1-4H3/t21-,22+,30+/m1/s1
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| InChIKey |
MMCQQUXWRQHPLM-DGIFUFQNSA-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