General Information of the Compound
| Compound ID |
CP0127853
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| Compound Name |
MLS000561583
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| Structure |
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| Formula |
C19H21ClN4O2S2
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| Molecular Weight |
436.99
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| Canonical SMILES |
COc1ccc(Cl)cc1Nc1nc(cs1)-c1sc(NC(=O)C(C)(C)C)nc1C
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| InChI |
InChI=1S/C19H21ClN4O2S2/c1-10-15(28-18(21-10)24-16(25)19(2,3)4)13-9-27-17(23-13)22-12-8-11(20)6-7-14(12)26-5/h6-9H,1-5H3,(H,22,23)(H,21,24,25)
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| InChIKey |
XERLNCVIGMCAMO-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
Protein ID: PT02042, Cystic fibrosis transmembrane conductance regulator