General Information of the Compound
| Compound ID |
CP0399854
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| Compound Name |
US9447114, 7
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| Structure |
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| Formula |
C21H20N2O3S
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| Molecular Weight |
380.469
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| Canonical SMILES |
Cc1c(sc2n(C)c(=O)n(CCCO)c(=O)c12)-c1ccc2ccccc2c1
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| InChI |
InChI=1S/C21H20N2O3S/c1-13-17-19(25)23(10-5-11-24)21(26)22(2)20(17)27-18(13)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12,24H,5,10-11H2,1-2H3
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| InChIKey |
HCIVWUGQMGIAGQ-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