General Information of the Compound
| Compound ID |
CP0554623
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| Compound Name |
CHEMBL4760343
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| Formula |
C26H27Cl2FN6O3S2
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| Molecular Weight |
625.579
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| Canonical SMILES |
Cl.N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)Cc2ccccc2)c1F
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| InChI |
InChI=1S/C26H26ClFN6O3S2.ClH/c27-19-10-11-20(34-39(36,37)13-15-4-2-1-3-5-15)21(28)23(19)33-26(35)18-12-38-24-22(18)30-14-31-25(24)32-17-8-6-16(29)7-9-17;/h1-5,10-12,14,16-17,34H,6-9,13,29H2,(H,33,35)(H,30,31,32);1H/t16-,17-;
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| InChIKey |
BWSRGTUPOZUXOJ-BHQIMSFRSA-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