General Information of the Compound
| Compound ID |
CP0523740
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| Compound Name |
CHEMBL240051
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| Formula |
C25H32Cl2FN3O2S
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| Molecular Weight |
528.521
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)Nc2cc(Cl)ccc2Cl)CC1
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| InChI |
InChI=1S/C25H32Cl2FN3O2S/c26-19-3-10-24(27)25(17-19)29-21-12-15-31(16-13-21)14-11-18-1-6-22(7-2-18)30-34(32,33)23-8-4-20(28)5-9-23/h3-5,8-10,17-18,21-22,29-30H,1-2,6-7,11-16H2/t18-,22-
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| InChIKey |
NDTPECCQNUXAEC-LBZQVFOQSA-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