General Information of the Compound
| Compound ID |
CP0150743
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| Compound Name |
CHEMBL1829325
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| Formula |
C21H30ClN3O4S
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| Molecular Weight |
456.008
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| Canonical SMILES |
CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1C(=O)CCc2cc(Cl)ccc12
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| InChI |
InChI=1S/C21H30ClN3O4S/c1-14(2)30(28,29)23-12-15-3-7-18(8-4-15)24-20(26)13-25-19-9-6-17(22)11-16(19)5-10-21(25)27/h6,9,11,14-15,18,23H,3-5,7-8,10,12-13H2,1-2H3,(H,24,26)/t15-,18-
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| InChIKey |
FOTKDIPZHXYRCS-RZDIXWSQSA-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