General Information of the Compound
| Compound ID |
CP0362667
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| Compound Name |
CHEMBL4781285
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| Formula |
C25H23Cl2FN6O3S2
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| Molecular Weight |
609.536
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2ccccc2Cl)c1F
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| InChI |
InChI=1S/C25H23Cl2FN6O3S2/c26-16-3-1-2-4-19(16)39(36,37)34-18-10-9-17(27)22(20(18)28)33-25(35)15-11-38-23-21(15)30-12-31-24(23)32-14-7-5-13(29)6-8-14/h1-4,9-14,34H,5-8,29H2,(H,33,35)(H,30,31,32)/t13-,14-
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| InChIKey |
DBPGUQYBXNJEQQ-HDJSIYSDSA-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