General Information of the Compound
| Compound ID |
CP0334820
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| Compound Name |
4-[3-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,2-dioxo-2lambda6,1,3-benzothiadiazol-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
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| Structure |
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| Formula |
C29H29F6N3O5S
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| Molecular Weight |
645.622
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| Canonical SMILES |
COc1cccc(CN(C)C(=O)CCCN2c3ccccc3N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)S2(=O)=O)c1
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| InChI |
InChI=1S/C29H29F6N3O5S/c1-36(18-21-7-5-8-23(17-21)43-2)26(39)11-6-16-37-24-9-3-4-10-25(24)38(44(37,41)42)19-20-12-14-22(15-13-20)27(40,28(30,31)32)29(33,34)35/h3-5,7-10,12-15,17,40H,6,11,16,18-19H2,1-2H3
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| InChIKey |
XXUBROMMVKTICZ-UHFFFAOYSA-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