General Information of the Compound
| Compound ID |
CP0321519
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| Compound Name |
2,3-dichloro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C23H23Cl2F4N5O5S2
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| Molecular Weight |
660.499
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| Canonical SMILES |
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)-c2noc(n2)C(C)(C)O)c(Cl)c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C23H23Cl2F4N5O5S2/c1-10(23(27,28)29)33-41(37,38)13-5-4-12(14(24)15(13)25)17-16(20(35)34-8-6-11(26)7-9-34)30-19(40-17)18-31-21(39-32-18)22(2,3)36/h4-5,10-11,33,36H,6-9H2,1-3H3/t10-/m0/s1
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| InChIKey |
INYSDJIZEVOPBK-JTQLQIEISA-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