General Information of the Compound
| Compound ID |
CP0509949
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| Compound Name |
4-amino-3,5-dichloro-N-[4-(2-cyanopyrrol-1-yl)-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C21H22Cl2F3N5O3S
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| Molecular Weight |
552.406
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| Canonical SMILES |
Nc1c(Cl)cc(cc1Cl)S(=O)(=O)NC(CCn1cccc1C#N)C(=O)N1CCC(CC1)C(F)(F)F
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| InChI |
InChI=1S/C21H22Cl2F3N5O3S/c22-16-10-15(11-17(23)19(16)28)35(33,34)29-18(5-9-30-6-1-2-14(30)12-27)20(32)31-7-3-13(4-8-31)21(24,25)26/h1-2,6,10-11,13,18,29H,3-5,7-9,28H2
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| InChIKey |
TUCQLFWSXLIZHY-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