General Information of the Compound
| Compound ID |
CP0539529
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| Compound Name |
US8618114, 1.2.19(2).HCl
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| Structure |
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| Formula |
C23H32N6O3S
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| Molecular Weight |
472.615
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| Canonical SMILES |
CNc1nn2c(C)c(CCC(=O)N(C)CCN(C)C)c(C)nc2c1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C23H32N6O3S/c1-16-19(12-13-20(30)28(6)15-14-27(4)5)17(2)29-23(25-16)21(22(24-3)26-29)33(31,32)18-10-8-7-9-11-18/h7-11H,12-15H2,1-6H3,(H,24,26)
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| InChIKey |
SUBOUNLJPNVPJB-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