General Information of the Compound
| Compound ID |
CP0919028
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| Compound Name |
N-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)-2-propanesulfonamide
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| Structure |
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| Formula |
C18H22F3N3O2S
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| Molecular Weight |
401.454
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| Canonical SMILES |
CC(C)S(=O)(=O)NCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1
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| InChI |
InChI=1S/C18H22F3N3O2S/c1-12(2)27(25,26)22-11-13-7-9-14(10-8-13)24-16-6-4-3-5-15(16)17(23-24)18(19,20)21/h7-10,12,22H,3-6,11H2,1-2H3
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| InChIKey |
DHBTXPTVUZYWIA-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