General Information of the Compound
| Compound ID |
CP0577120
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| Compound Name |
US10080744, Example 3/3
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| Structure |
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| Formula |
C28H29F3N4O5S2
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| Molecular Weight |
622.691
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| Canonical SMILES |
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F
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| InChI |
InChI=1S/C28H29F3N4O5S2/c1-15(28(29,30)31)35-42(38,39)21-12-11-19(17-9-4-5-10-18(17)21)23-20(13-16-7-6-8-16)32-25(41-23)24-34-33-22(40-24)14-27(2,3)26(36)37/h4-5,9-12,15-16,35H,6-8,13-14H2,1-3H3,(H,36,37)/t15-/m0/s1
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| InChIKey |
ZHTPYXZPCVSSGB-HNNXBMFYSA-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