General Information of the Compound
| Compound ID |
CP0518254
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| Compound Name |
US9067871, 33
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| Structure |
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| Formula |
C22H27ClN2O3S
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| Molecular Weight |
434.989
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| Canonical SMILES |
NC1CCc2ccc(OCCN3CCCS3(=O)=O)cc2C1Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C22H27ClN2O3S/c23-18-4-1-3-16(13-18)14-21-20-15-19(7-5-17(20)6-8-22(21)24)28-11-10-25-9-2-12-29(25,26)27/h1,3-5,7,13,15,21-22H,2,6,8-12,14,24H2
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| InChIKey |
PLNRNWCBXKAVPU-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