General Information of the Compound
| Compound ID |
CP0129839
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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-(4-hydroxybutan-2-yl)-N-methylbutanamide
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| Structure |
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| Formula |
C25H29F6N3O5S
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| Molecular Weight |
597.578
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| Canonical SMILES |
CC(CCO)N(C)C(=O)CCCN1c2ccccc2N(Cc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)S1(=O)=O
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| InChI |
InChI=1S/C25H29F6N3O5S/c1-17(13-15-35)32(2)22(36)8-5-14-33-20-6-3-4-7-21(20)34(40(33,38)39)16-18-9-11-19(12-10-18)23(37,24(26,27)28)25(29,30)31/h3-4,6-7,9-12,17,35,37H,5,8,13-16H2,1-2H3
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| InChIKey |
SULHDXFOLGGHOR-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