General Information of the Compound
| Compound ID |
CP0634800
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| Compound Name |
2-chloro-5-(2-methyl-1-oxo-1-(4-(trifluoromethyl)-6H-thiazolo[5,4-e]indazol-2-ylamino)propan-2-ylamino)-N-(3-sulfamoylpropyl)benzamide
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| Structure |
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| Formula |
C23H23ClF3N7O4S2
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| Molecular Weight |
618.063
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| Canonical SMILES |
CC(C)(Nc1ccc(Cl)c(C(=O)NCCCS(N)(=O)=O)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1
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| InChI |
InChI=1S/C23H23ClF3N7O4S2/c1-22(2,33-11-4-5-15(24)12(8-11)19(35)29-6-3-7-40(28,37)38)20(36)32-21-31-17-14(23(25,26)27)9-16-13(10-30-34-16)18(17)39-21/h4-5,8-10,33H,3,6-7H2,1-2H3,(H,29,35)(H,30,34)(H2,28,37,38)(H,31,32,36)
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| InChIKey |
VGAKNPKNIZJLEF-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