General Information of the Compound
| Compound ID |
CP0492539
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| Compound Name |
US9067871, 65
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| Structure |
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| Formula |
C24H31ClN2O5S
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| Molecular Weight |
495.041
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| Canonical SMILES |
CCOC(=O)NC1CCc2ccc(OCCNS(=O)(=O)CC)cc2C1Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C24H31ClN2O5S/c1-3-31-24(28)27-23-11-9-18-8-10-20(32-13-12-26-33(29,30)4-2)16-21(18)22(23)15-17-6-5-7-19(25)14-17/h5-8,10,14,16,22-23,26H,3-4,9,11-13,15H2,1-2H3,(H,27,28)
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| InChIKey |
FWAWHSQIWVHPGT-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