General Information of the Compound
| Compound ID |
CP0248164
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| Compound Name |
1-[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]methyl]piperidin-1-yl]-2-methylpropan-1-one
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| Structure |
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| Formula |
C26H29F6N3O4S
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| Molecular Weight |
593.59
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| Canonical SMILES |
CC(C)C(=O)N1CCC(CN2c3ccccc3N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)S2(=O)=O)CC1
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| InChI |
InChI=1S/C26H29F6N3O4S/c1-17(2)23(36)33-13-11-19(12-14-33)16-35-22-6-4-3-5-21(22)34(40(35,38)39)15-18-7-9-20(10-8-18)24(37,25(27,28)29)26(30,31)32/h3-10,17,19,37H,11-16H2,1-2H3
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| InChIKey |
YXHRPVVHBMJBGR-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