General Information of the Compound
| Compound ID |
CP0512080
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| Compound Name |
US9040693, 2
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| Structure |
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| Formula |
C21H16ClN3O4S2
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| Molecular Weight |
473.963
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| Canonical SMILES |
Clc1ccc(cc1-n1c(=O)[nH]c2ccsc2c1=O)S(=O)(=O)N1CCCc2ccccc12
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| InChI |
InChI=1S/C21H16ClN3O4S2/c22-15-8-7-14(31(28,29)24-10-3-5-13-4-1-2-6-17(13)24)12-18(15)25-20(26)19-16(9-11-30-19)23-21(25)27/h1-2,4,6-9,11-12H,3,5,10H2,(H,23,27)
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| InChIKey |
VWOZDBPRWRKKMI-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