General Information of the Compound
| Compound ID |
CP0931108
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| Compound Name |
N-[4-Chloro-2-(6-methylpyridine-3-carbonyl)-phenyl]-4-(cis-2,6-dimethyl-morpholin-4-yl)-3-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C25H25ClFN3O4S
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| Molecular Weight |
518.01
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| Canonical SMILES |
Cc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cn1
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| InChI |
InChI=1S/C25H25ClFN3O4S/c1-15-4-5-18(12-28-15)25(31)21-10-19(26)6-8-23(21)29-35(32,33)20-7-9-24(22(27)11-20)30-13-16(2)34-17(3)14-30/h4-12,16-17,29H,13-14H2,1-3H3/t16-,17+
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| InChIKey |
VOCNRPSKUVPJCF-CALCHBBNSA-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