General Information of the Compound
| Compound ID |
CP0633746
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| Compound Name |
2-(4-chloro-3-(2,3-dihydroxypropoxy)phenylamino)-2-methyl-N-(4-(trifluoromethyl)-6H-thiazolo[5,4-e]indazol-2-yl)propanamide
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| Structure |
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| Formula |
C22H21ClF3N5O4S
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| Molecular Weight |
543.955
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| Canonical SMILES |
CC(C)(Nc1ccc(Cl)c(OCC(O)CO)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1
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| InChI |
InChI=1S/C22H21ClF3N5O4S/c1-21(2,30-10-3-4-14(23)16(5-10)35-9-11(33)8-32)19(34)29-20-28-17-13(22(24,25)26)6-15-12(7-27-31-15)18(17)36-20/h3-7,11,30,32-33H,8-9H2,1-2H3,(H,27,31)(H,28,29,34)
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| InChIKey |
PEJLZSHWCASCSY-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